Cas no 193630-25-0 (1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)-)
193630-25-0 structure
Product Name:1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)-
CAS No:193630-25-0
MF:C22H18O4
MW:346.375926494598
CID:6636674
PubChem ID:165344632
Update Time:2024-01-10
1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)-
- 3-(3-Ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)-1(3H)-isobenzofuranone
- DTXSID601154218
- 193630-25-0
-
- Inchi： 1S/C22H18O4/c1-2-14-13-16(9-12-20(14)24)22(15-7-10-17(23)11-8-15)19-6-4-3-5-18(19)21(25)26-22/h3-13,23-24H,2H2,1H3
- InChI Key： MQUGNZVUMYKLBY-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C=CC=C2)C(C2=CC=C(O)C(CC)=C2)(C2=CC=C(O)C=C2)O1
Computed Properties
- Exact Mass: 346.12050905g/mol
- Monoisotopic Mass: 346.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 512
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.319±0.06 g/cm3(Predicted)
- Boiling Point: 553.8±50.0 °C(Predicted)
- pka: 9.53±0.30(Predicted)
1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
193630-25-0 (1(3H)-Isobenzofuranone, 3-(3-ethyl-4-hydroxyphenyl)-3-(4-hydroxyphenyl)-) Related Products
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
