Basic information
- Standard SMILES
CC(O)C(C/C=C/c1ccc2ccccc2c1)c1ccc(Cl)cc1- InChIKey
IPFLBFLAQXRUDK-SNAWJCMRSA-N- Molecular formula
- C22H21ClO
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.128093
Names & identifiers
- Preferred name
- (2RS,3SR,5E)-3-(4-chlorophenyl)-6-(2-naphthyl)-5-hexen-2-ol
- IUPAC
- (E)-3-(4-chlorophenyl)-6-naphthalen-2-ylhex-5-en-2-ol
Names & synonyms
SCHEMBL8128508IPFLBFLAQXRUDK-SNAWJCMRSA-N(2RS,3SR,5E)-3-(4-chlorophenyl)-6-(2-naphthyl)-5-hexen-2-ol
Database identifiers
- PubChem CID
- 19038652
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
2 records
Compound notes
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