7-(benzyloxy)-3,4,8-trimethyl-2H-chromen-2-one

• ChemBase ID: 190580
• Molecular Formular: C19H18O3
• Molecular Mass: 294.34442
• Monoisotopic Mass: 294.12559444
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCc1ccccc1)C)C
• Canonical SMILES: Cc1c(OCc2ccccc2)ccc2c1oc(=O)c(c2C)C
• InChI: InChI=1S/C19H18O3/c1-12-13(2)19(20)22-18-14(3)17(10-9-16(12)18)21-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
• InChIKey: COLCQNKXSNUUJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-3,4,8-trimethyl-2H-chromen-2-one
• IUPAC Traditional name: 7-(benzyloxy)-3,4,8-trimethylchromen-2-one

Database IDs

• PubChem SID: 164246490
• PubChem CID: 872110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.558528
• LogD (pH = 7.4): 4.558528
• Log P: 4.558528
• Molar Refractivity: 86.3047 cm^3
• Polarizability: 33.259285 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds