5-(2-phenylethyl)benzene-1,3-diol

• ChemBase ID: 304224
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: c1cccc(c1)CCc1cc(cc(c1)O)O
• Canonical SMILES: Oc1cc(CCc2ccccc2)cc(c1)O
• InChI: InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
• InChIKey: LDBYHULIXFIJAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-phenylethyl)benzene-1,3-diol
• IUPAC Traditional name: dihydropinosylvin
• Synonyms: Dihydropinosylvin

Database IDs

• CAS Number: 14531-52-3

CALCULATED PROPERTIES

• Acid pKa: 9.351002
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.902417
• LogD (pH = 7.4): 3.8976705
• Log P: 3.902478
• Molar Refractivity: 64.358 cm^3
• Polarizability: 24.67038 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil