1-(1-hydroxycyclohexyl)-3-phenylpropan-1-one

• ChemBase ID: 310656
• Molecular Formular: C15H20O2
• Molecular Mass: 232.3181
• Monoisotopic Mass: 232.14632988
• SMILES: C1(C(=O)CCc2ccccc2)(O)CCCCC1
• Canonical SMILES: O=C(C1(O)CCCCC1)CCc1ccccc1
• InChI: InChI=1S/C15H20O2/c16-14(15(17)11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2
• InChIKey: JNPMKVGVKUKYRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-hydroxycyclohexyl)-3-phenylpropan-1-one
• IUPAC Traditional name: 1-(1-hydroxycyclohexyl)-3-phenylpropan-1-one
• Synonyms: 1-(1-hydroxycyclohexyl)-3-phenylpropan-1-one

Database IDs

• CAS Number: 139719-68-9
• MDL Number: MFCD00560201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.595358
• LogD (pH = 7.4): 3.595357
• Log P: 3.595358
• Molar Refractivity: 68.2739 cm^3
• Polarizability: 26.868916 Å^3
• Polar Surface Area: 37.3 Å^2