4-[4-(4-hydroxyphenyl)-2-methylpent-4-en-2-yl]phenol

• ChemBase ID: 125440
• Molecular Formular: C18H20O2
• Molecular Mass: 268.3502
• Monoisotopic Mass: 268.14632988
• SMILES: Oc1ccc(cc1)C(CC(=C)c1ccc(O)cc1)(C)C
• Canonical SMILES: Oc1ccc(cc1)C(=C)CC(c1ccc(cc1)O)(C)C
• InChI: InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3
• InChIKey: MZLYLGGRVAFGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-hydroxyphenyl)-2-methylpent-4-en-2-yl]phenol
• IUPAC Traditional name: 4-[4-(4-hydroxyphenyl)-2-methylpent-4-en-2-yl]phenol
• Synonyms: 4-Methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene

Database IDs

• PubChem SID: 162219790
• PubChem CID: 83494
• Chemspider ID: 75331
• Wikipedia Title: 4-Methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene

CALCULATED PROPERTIES

• Acid pKa: 9.434837
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.0121694
• LogD (pH = 7.4): 5.0082474
• Log P: 5.0122194
• Molar Refractivity: 82.3088 cm^3
• Polarizability: 31.968225 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false