7-[(4-methoxyphenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one

• ChemBase ID: 188295
• Molecular Formular: C19H18O4
• Molecular Mass: 310.34382
• Monoisotopic Mass: 310.12050906
• SMILES: c1(=O)c(c(c2c(o1)cc(OCc1ccc(cc1)OC)cc2)C)C
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2C)C
• InChI: InChI=1S/C19H18O4/c1-12-13(2)19(20)23-18-10-16(8-9-17(12)18)22-11-14-4-6-15(21-3)7-5-14/h4-10H,11H2,1-3H3
• InChIKey: ZAWKTTWMHRNZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-methoxyphenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(4-methoxyphenyl)methoxy]-3,4-dimethylchromen-2-one

Database IDs

• PubChem SID: 164244205
• PubChem CID: 667617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8874352
• LogD (pH = 7.4): 3.8874352
• Log P: 3.8874352
• Molar Refractivity: 87.7267 cm^3
• Polarizability: 34.001923 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds