6-chloro-7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 188312
• Molecular Formular: C23H17ClO4
• Molecular Mass: 392.83168
• Monoisotopic Mass: 392.0815367
• SMILES: c1(c2c(oc(=O)c1)cc(c(c2)Cl)OCc1cc(OC)ccc1)c1ccccc1
• Canonical SMILES: COc1cccc(c1)COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1
• InChI: InChI=1S/C23H17ClO4/c1-26-17-9-5-6-15(10-17)14-27-22-13-21-19(11-20(22)24)18(12-23(25)28-21)16-7-3-2-4-8-16/h2-13H,14H2,1H3
• InChIKey: TZNNHWBNICNBFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164244222
• PubChem CID: 1780937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2297335
• LogD (pH = 7.4): 5.2297335
• Log P: 5.2297335
• Molar Refractivity: 117.4451 cm^3
• Polarizability: 41.78666 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds