2-(4-methoxyphenyl)propan-1-ol

• ChemBase ID: 245934
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(ccc(cc1)OC)C(CO)C
• Canonical SMILES: OCC(c1ccc(cc1)OC)C
• InChI: InChI=1S/C10H14O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
• InChIKey: VIPNDDUFWVYIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)propan-1-ol
• IUPAC Traditional name: 2-(4-methoxyphenyl)propan-1-ol
• Synonyms: 2-(4-methoxyphenyl)propan-1-ol

Database IDs

• MDL Number: MFCD16301203
• PubChem SID: 164301844
• PubChem CID: 316475

CALCULATED PROPERTIES

• Acid pKa: 15.409435
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7018588
• LogD (pH = 7.4): 1.7018588
• Log P: 1.7018588
• Molar Refractivity: 48.5637 cm^3
• Polarizability: 18.908066 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%