cyclopropyl(4-methoxy-2-methylphenyl)methanol

• ChemBase ID: 245435
• Molecular Formular: C12H16O2
• Molecular Mass: 192.25424
• Monoisotopic Mass: 192.11502975
• SMILES: c1(C(C2CC2)O)c(cc(cc1)OC)C
• Canonical SMILES: COc1ccc(c(c1)C)C(C1CC1)O
• InChI: InChI=1S/C12H16O2/c1-8-7-10(14-2)5-6-11(8)12(13)9-3-4-9/h5-7,9,12-13H,3-4H2,1-2H3
• InChIKey: BYQXCYVCZSOHQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-methoxy-2-methylphenyl)methanol
• IUPAC Traditional name: cyclopropyl(4-methoxy-2-methylphenyl)methanol
• Synonyms: cyclopropyl(4-methoxy-2-methylphenyl)methanol

Database IDs

• MDL Number: MFCD12787094
• PubChem SID: 164301345
• PubChem CID: 61100964

CALCULATED PROPERTIES

• Acid pKa: 14.245632
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4019904
• LogD (pH = 7.4): 2.4019904
• Log P: 2.4019904
• Molar Refractivity: 55.9905 cm^3
• Polarizability: 21.860258 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 2.225

Product Information

• Purity: 95%