(1S)-1-phenylpentan-1-ol

• ChemBase ID: 248294
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: c1([C@@H](O)CCCC)ccccc1
• Canonical SMILES: CCCC[C@@H](c1ccccc1)O
• InChI: InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3/t11-/m0/s1
• InChIKey: OVGORFFCBUIFIA-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-phenylpentan-1-ol
• IUPAC Traditional name: (1S)-1-phenylpentan-1-ol
• Synonyms: (1S)-1-phenylpentan-1-ol

Database IDs

• MDL Number: MFCD16621863
• PubChem SID: 164304204
• PubChem CID: 6992754

CALCULATED PROPERTIES

• Acid pKa: 14.485039
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0341308
• LogD (pH = 7.4): 3.0341308
• Log P: 3.0341308
• Molar Refractivity: 51.0187 cm^3
• Polarizability: 20.179295 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.0

Product Information

• Purity: 95%