Valerophenone, 3-(p-chlorophenyl)-4'-hydroxy-4-methyl-2-phenyl-, erythro-
Basic information
- CAS
31365-02-3- Standard SMILES
CC(C)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(O)cc1)c1ccccc1- InChIKey
XHNMDSMHESXHLQ-PKTZIBPZSA-N- Molecular formula
- C24H23ClO2
- Average molar mass
- 378.9 g/mol
- Monoisotopic mass
- 378.1386577
Names & identifiers
- Preferred name
- Valerophenone, 3-(p-chlorophenyl)-4'-hydroxy-4-methyl-2-phenyl-, erythro-
- IUPAC
- (2R,3S)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one
Names & synonyms
31365-02-3Valerophenone, 3-(p-chlorophenyl)-4'-hydroxy-4-methyl-2-phenyl-, erythro-BRN 2164220(2r,3s)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-oneerythro-3-(p-Chlorophenyl)-4'-hydroxy-4-methyl-2-phenylvalerophenoneDTXSID70185292539LKG3S961-Pentanone, 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenyl-, (R*,S*)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one, (2R,3S)-rel-rel-(2R,3S)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one
Database identifiers
- CAS
31365-02-3- PubChem CID
- 208002
- DTXSID
DTXSID70185292- UNII
- 539LKG3S96
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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