6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-one

• ChemBase ID: 311508
• Molecular Formular: C12H14O2
• Molecular Mass: 190.23836
• Monoisotopic Mass: 190.09937969
• SMILES: c12cc(c(cc1CCCC2=O)OC)C
• Canonical SMILES: COc1cc2CCCC(=O)c2cc1C
• InChI: InChI=1S/C12H14O2/c1-8-6-10-9(7-12(8)14-2)4-3-5-11(10)13/h6-7H,3-5H2,1-2H3
• InChIKey: XVCLHUXQMUORDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-one
• IUPAC Traditional name: 6-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
• Synonyms: 6-methoxy-7-methyl-3,4-dihydro-1(2H)-naphthalenone

Database IDs

• CAS Number: 61495-10-1
• MDL Number: MFCD00511240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6368747
• LogD (pH = 7.4): 2.6368747
• Log P: 2.6368747
• Molar Refractivity: 55.8311 cm^3
• Polarizability: 21.294815 Å^3
• Polar Surface Area: 26.3 Å^2