bis(3-methoxyphenyl)methanol

• ChemBase ID: 286398
• Molecular Formular: C15H16O3
• Molecular Mass: 244.28574
• Monoisotopic Mass: 244.10994437
• SMILES: c1(C(c2cc(OC)ccc2)O)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(c1cccc(c1)OC)O
• InChI: InChI=1S/C15H16O3/c1-17-13-7-3-5-11(9-13)15(16)12-6-4-8-14(10-12)18-2/h3-10,15-16H,1-2H3
• InChIKey: JKFZTBFWANEMEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methoxyphenyl)methanol
• IUPAC Traditional name: bis(3-methoxyphenyl)methanol
• Synonyms: bis(3-methoxyphenyl)methanol

Database IDs

• MDL Number: MFCD12723611
• PubChem SID: 180671929
• PubChem CID: 12197872

CALCULATED PROPERTIES

• Acid pKa: 13.636263
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6747937
• LogD (pH = 7.4): 2.6747935
• Log P: 2.6747937
• Molar Refractivity: 70.0831 cm^3
• Polarizability: 27.406385 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.29

Product Information

• Purity: 95%