(4-ethoxy-3-methoxyphenyl)methanol

• ChemBase ID: 234574
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(c(ccc(c1)CO)OCC)OC
• Canonical SMILES: CCOc1ccc(cc1OC)CO
• InChI: InChI=1S/C10H14O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-6,11H,3,7H2,1-2H3
• InChIKey: PMSHVORCBMOTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxy-3-methoxyphenyl)methanol
• IUPAC Traditional name: (4-ethoxy-3-methoxyphenyl)methanol
• Synonyms: (4-ethoxy-3-methoxyphenyl)methanol; 4-Ethoxy-3-methoxybenzyl alcohol; 4-乙氧基-3-甲氧基苄醇

Database IDs

• CAS Number: 61813-58-9
• EC Number: 263-247-5
• MDL Number: MFCD00004656
• PubChem SID: 164290484
• PubChem CID: 112741

CALCULATED PROPERTIES

• Acid pKa: 14.951161
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2473614
• LogD (pH = 7.4): 1.2473614
• Log P: 1.2473614
• Molar Refractivity: 50.5489 cm^3
• Polarizability: 19.662907 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.291

Safety Information

• TSCA Listed: 否

Product Information

• Purity: null%