Cas no 127725-14-8 (Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester)
127725-14-8 structure
Product Name:Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester
CAS No:127725-14-8
MF:C16H15IO4
MW:398.192377328873
CID:193669
PubChem ID:124454
Update Time:2025-04-19
Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester
- methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
- BHIM
- Methyl 2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)benzoate
- Benzoic acid, 2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester
- DTXSID30155638
- 127725-14-8
- methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoate
- InChI=1/C16H15IO4/c1-10-8-12(21-9-11-6-4-3-5-7-11)14(17)15(18)13(10)16(19)20-2/h3-8,18H,9H2,1-2H
-
- Inchi： 1S/C16H15IO4/c1-10-8-12(21-9-11-6-4-3-5-7-11)14(17)15(18)13(10)16(19)20-2/h3-8,18H,9H2,1-2H3
- InChI Key： IZKPTCANVFJZQF-UHFFFAOYSA-N
- SMILES： IC1=C(C(C(=O)OC)=C(C)C=C1OCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 398.00105
- Monoisotopic Mass: 398.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 13
- XLogP3: 4.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.6
- Boiling Point: 435.7°Cat760mmHg
- Flash Point: 217.3°C
- Refractive Index: 1.632
- PSA: 55.76
Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
127725-14-8 (Benzoic acid,2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)-, methyl ester) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk