(4-methoxy-3-methylphenyl)methanol

• ChemBase ID: 297466
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: Cc1cc(ccc1OC)CO
• Canonical SMILES: OCc1ccc(c(c1)C)OC
• InChI: InChI=1S/C9H12O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,10H,6H2,1-2H3
• InChIKey: UVIIQYUUEVQCOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-3-methylphenyl)methanol
• IUPAC Traditional name: (4-methoxy-3-methylphenyl)methanol
• Synonyms: 4-Methoxy-3-methylbenzyl alcohol; 4-甲氧基-3-甲基苄醇

Database IDs

• CAS Number: 114787-91-6
• MDL Number: MFCD00060357
• PubChem SID: 180682997
• PubChem CID: 14457544

CALCULATED PROPERTIES

• Acid pKa: 15.064854
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5616462
• LogD (pH = 7.4): 1.5616461
• Log P: 1.5616462
• Molar Refractivity: 44.3783 cm^3
• Polarizability: 17.063532 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A