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

• ChemBase ID: 278373
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(cc(OC)ccc1)C(O)CC
• Canonical SMILES: CCC(c1cccc(c1)OC)O
• InChI: InChI=1S/C10H14O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7,10-11H,3H2,1-2H3
• InChIKey: OTBXPRJLIYBQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11521209
• PubChem SID: 164334283
• PubChem CID: 5315061

CALCULATED PROPERTIES

• Acid pKa: 14.43518
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9873222
• LogD (pH = 7.4): 1.9873222
• Log P: 1.9873222
• Molar Refractivity: 48.2799 cm^3
• Polarizability: 18.982836 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.861

Product Information

• Purity: 95%