1-(4-methoxyphenyl)dec-1-en-3-one

• ChemBase ID: 81847
• Molecular Formular: C17H24O2
• Molecular Mass: 260.37126
• Monoisotopic Mass: 260.17763001
• SMILES: O=C(/C=C/c1ccc(cc1)OC)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)/C=C/c1ccc(cc1)OC
• InChI: InChI=1S/C17H24O2/c1-3-4-5-6-7-8-16(18)12-9-15-10-13-17(19-2)14-11-15/h9-14H,3-8H2,1-2H3
• InChIKey: CQABVHABRJTBIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)dec-1-en-3-one
• IUPAC Traditional name: 1-(4-methoxyphenyl)dec-1-en-3-one
• Synonyms: 1-(4-methoxyphenyl)dec-1-en-3-one

Database IDs

• MDL Number: MFCD00208370
• PubChem SID: 162068966
• PubChem CID: 5373747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2314196
• LogD (pH = 7.4): 5.2314196
• Log P: 5.2314196
• Molar Refractivity: 80.7061 cm^3
• Polarizability: 31.189379 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false