(S)-3-Phenylcyclohexanone
(3S)-3-phenylcyclohexan-1-one
Molecular Identity
(S)-3-Phenylcyclohexanone
(3S)-3-phenylcyclohexan-1-one
PubChem CID: 11116555
2D Structure
Properties
C12H14O
Molecular Formula
174.24
Molecular Weight
g/mol
174.1045
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
17.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
180
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CC(=O)C1)C2=CC=CC=C2Isomeric SMILES
SMILES: C1C[C@@H](CC(=O)C1)C2=CC=CC=C2Synonyms(20)
(S)-3-Phenylcyclohexanone57344-86-2DTXSID70455740RefChem:211091DTXCID10406559(3S)-3-PHENYLCYCLOHEXAN-1-ONEMFCD08276411(S)-3-PHENYL-CYCLOHEXANONE(S)-3-phenylcyclohexan-1-oneCJ-12406Cyclohexanone, 3-phenyl-, (3S)-(3S)-3-phenylcyclohexanoneSCHEMBL714527EX-A7802GCJAUDSQXFVZPTO-NSHDSACASA-N
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (S)-3-Phenylcyclohexanone
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