3-tert-Butyl-5-chloro-2-hydroxybenzophenone
Basic information
- CAS
52196-47-1- Standard SMILES
CC(C)(C)c1cc(Cl)cc(C(=O)c2ccccc2)c1O- InChIKey
LWJKCQWOGKOCPK-UHFFFAOYSA-N- Molecular formula
- C17H17ClO2
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.0917075
Names & identifiers
- Preferred name
- 3-tert-Butyl-5-chloro-2-hydroxybenzophenone
- IUPAC
- (3-tert-butyl-5-chloro-2-hydroxyphenyl)-phenylmethanone
Names & synonyms
3-tert-Butyl-5-chloro-2-hydroxybenzophenone52196-47-1(3-tert-butyl-5-chloro-2-hydroxyphenyl)-phenylmethanoneSCHEMBL28836082LWJKCQWOGKOCPK-UHFFFAOYSA-NDTXSID001366758(3-tert-Butyl-5-chloro-2-hydroxyphenyl)(phenyl)methanone(3-tert-Butyl-5-chloro-2-hydroxyphenyl)(phenyl)methanone #[5-chloro-3-(1,1-dimethylethyl)-2-hydroxyphenyl]phenylmethanone
Database identifiers
- CAS
52196-47-1- PubChem CID
- 569153
- DTXSID
DTXSID001366758
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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