7-methoxy-3-phenoxy-4H-chromen-4-one

• ChemBase ID: 209835
• Molecular Formular: C16H12O4
• Molecular Mass: 268.26408
• Monoisotopic Mass: 268.07355886
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)Oc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)occ(c2=O)Oc1ccccc1
• InChI: InChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: ZGTJGDONIKWWKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-phenoxy-4H-chromen-4-one
• IUPAC Traditional name: 7-methoxy-3-phenoxychromen-4-one

Database IDs

• PubChem SID: 164265745
• PubChem CID: 746327

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0688374
• LogD (pH = 7.4): 3.0688374
• Log P: 3.0688374
• Molar Refractivity: 73.9786 cm^3
• Polarizability: 28.39173 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds