Cas no 6624-03-9 (Methyl 2-benzhydrylbenzoate)
Methyl 2-benzhydrylbenzoate structure
Product Name:Methyl 2-benzhydrylbenzoate
CAS No:6624-03-9
MF:C21H18O2
MW:302.366425991058
CID:1706516
PubChem ID:244350
Update Time:2025-04-21
Methyl 2-benzhydrylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-benzhydrylbenzoate
- methyl 2-(diphenylmethyl)benzoate
- AC1L6DJA
- NSC55217
- AC1Q5ZAY
- AC1Q43JW
- CTK5C3787
- 2-benzhydryl-benzoic acid methyl ester
- 2-Benzhydryl-benzoesaeure-methylester
- SureCN8021409
- NCIOpen2_007447
- Methyl-o-benzhydryl-benzoat
- 2-Benzhydryl-benzoesaeure-methylester;Methyl-o-benzhydryl-benzoat;2-benzhydryl-benzoic acid methyl ester;
- DTXSID00288306
- SCHEMBL8021409
- AKOS024336562
- 6624-03-9
- DS-000824
- NSC-55217
-
- Inchi： 1S/C21H18O2/c1-23-21(22)19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
- InChI Key： XWPJYAWEQCGKRJ-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=CC=1C(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 302.13100
- Monoisotopic Mass: 302.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 348
- 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
- XLogP3: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 4.65340
Methyl 2-benzhydrylbenzoate Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
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
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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