(4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

• ChemBase ID: 248027
• Molecular Formular: C19H22O2
• Molecular Mass: 282.37678
• Monoisotopic Mass: 282.16197994
• SMILES: c1(C(C2c3c(CCC2)cccc3)O)c(cc(cc1)OC)C
• Canonical SMILES: COc1ccc(c(c1)C)C(C1CCCc2c1cccc2)O
• InChI: InChI=1S/C19H22O2/c1-13-12-15(21-2)10-11-16(13)19(20)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-12,18-20H,5,7,9H2,1-2H3
• InChIKey: NKEDBDKFDAZMBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
• IUPAC Traditional name: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
• Synonyms: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

Database IDs

• PubChem SID: 164303937
• PubChem CID: 62719511

CALCULATED PROPERTIES

• Acid pKa: 14.143045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.4937844
• LogD (pH = 7.4): 4.4937844
• Log P: 4.4937844
• Molar Refractivity: 85.7277 cm^3
• Polarizability: 33.161724 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.412

Product Information

• Purity: 95%