6-methoxy-1,2-dihydronaphthalene

• ChemBase ID: 245056
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: c12c(ccc(c1)OC)CCC=C2
• Canonical SMILES: COc1ccc2c(c1)C=CCC2
• InChI: InChI=1S/C11H12O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3,5-8H,2,4H2,1H3
• InChIKey: SUSHJFGCRWJSAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2-dihydronaphthalene
• IUPAC Traditional name: 2-methoxy-5,6-dihydronaphthalene
• Synonyms: 6-methoxy-1,2-dihydronaphthalene

Database IDs

• MDL Number: MFCD08544531
• PubChem SID: 164300966
• PubChem CID: 594775

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9886072
• LogD (pH = 7.4): 2.9886072
• Log P: 2.9886072
• Molar Refractivity: 51.12 cm^3
• Polarizability: 19.262756 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.329

Product Information

• Purity: 95%