Cas no 67093-26-9 (Benzenemethanol, 2-bromo-3,5-bis(phenylmethoxy)-)
67093-26-9 structure
Product Name:Benzenemethanol, 2-bromo-3,5-bis(phenylmethoxy)-
CAS No:67093-26-9
MF:C21H19BrO3
MW:399.277765512466
CID:395380
PubChem ID:13109574
Update Time:2025-04-19
Benzenemethanol, 2-bromo-3,5-bis(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-bromo-3,5-bis(phenylmethoxy)-
- [2-bromo-3,5-bis(phenylmethoxy)phenyl]methanol
- [3,5-Bis(benzyloxy)-2-bromophenyl]methanol
- 67093-26-9
- DTXSID90518487
-
- Inchi： 1S/C21H19BrO3/c22-21-18(13-23)11-19(24-14-16-7-3-1-4-8-16)12-20(21)25-15-17-9-5-2-6-10-17/h1-12,23H,13-15H2
- InChI Key： ANSKEPDHIMELKC-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=CC=1CO)OCC1C=CC=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 398.05177
- Monoisotopic Mass: 398.05176g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 366
- 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: 4.7
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzenemethanol, 2-bromo-3,5-bis(phenylmethoxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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