3-methoxy-1-phenylpropan-1-ol

• ChemBase ID: 242777
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(C(CCOC)O)ccccc1
• Canonical SMILES: COCCC(c1ccccc1)O
• InChI: InChI=1S/C10H14O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
• InChIKey: RFQYNHNPWIIWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-phenylpropan-1-ol
• IUPAC Traditional name: 3-methoxy-1-phenylpropan-1-ol
• Synonyms: 3-methoxy-1-phenylpropan-1-ol

Database IDs

• MDL Number: MFCD14661449
• PubChem SID: 164298687
• PubChem CID: 10899050

CALCULATED PROPERTIES

• Acid pKa: 14.409822
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2786473
• LogD (pH = 7.4): 1.2786473
• Log P: 1.2786473
• Molar Refractivity: 48.453 cm^3
• Polarizability: 18.999994 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%