(3-propoxyphenyl)methanol

• ChemBase ID: 312631
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1c(OCCC)cccc1CO
• Canonical SMILES: CCCOc1cccc(c1)CO
• InChI: InChI=1S/C10H14O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7,11H,2,6,8H2,1H3
• InChIKey: ZEZXJXHYTCWXCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-propoxyphenyl)methanol
• IUPAC Traditional name: (3-propoxyphenyl)methanol
• Synonyms: (3-propoxyphenyl)methanol

Database IDs

• CAS Number: 67698-62-8
• MDL Number: MFCD08753027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9275551
• LogD (pH = 7.4): 1.9275551
• Log P: 1.9275551
• Molar Refractivity: 48.6097 cm^3
• Polarizability: 18.983133 Å^3
• Polar Surface Area: 29.46 Å^2