3-(3-methoxyphenyl)propan-1-ol

• ChemBase ID: 279470
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1c(OC)cccc1CCCO
• Canonical SMILES: OCCCc1cccc(c1)OC
• InChI: InChI=1S/C10H14O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8,11H,3,5,7H2,1H3
• InChIKey: XOBQNLCSYCFLQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)propan-1-ol
• IUPAC Traditional name: 3-(3-methoxyphenyl)propan-1-ol
• Synonyms: 3-(3-methoxyphenyl)propan-1-ol

Database IDs

• MDL Number: MFCD00798002
• PubChem SID: 164335380
• PubChem CID: 96130

CALCULATED PROPERTIES

• Acid pKa: 15.963384
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7814547
• LogD (pH = 7.4): 1.7814547
• Log P: 1.7814547
• Molar Refractivity: 48.6931 cm^3
• Polarizability: 18.910923 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%