(4-propoxyphenyl)methanol

• ChemBase ID: 262986
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(ccc(cc1)CO)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)CO
• InChI: InChI=1S/C10H14O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3
• InChIKey: BUJZENMUXBWWFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propoxyphenyl)methanol
• IUPAC Traditional name: (4-propoxyphenyl)methanol
• Synonyms: (4-propoxyphenyl)methanol

Database IDs

• MDL Number: MFCD06202634
• PubChem SID: 164318896
• PubChem CID: 347843

CALCULATED PROPERTIES

• Acid pKa: 15.021572
• 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: 18.983093 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.081

Product Information

• Purity: 95%