3-(2-methoxyphenyl)-7-(prop-2-en-1-yloxy)-4H-chromen-4-one

• ChemBase ID: 189597
• Molecular Formular: C19H16O4
• Molecular Mass: 308.32794
• Monoisotopic Mass: 308.10485899
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OCC=C)c1c(OC)cccc1
• Canonical SMILES: C=CCOc1ccc2c(c1)occ(c2=O)c1ccccc1OC
• InChI: InChI=1S/C19H16O4/c1-3-10-22-13-8-9-15-18(11-13)23-12-16(19(15)20)14-6-4-5-7-17(14)21-2/h3-9,11-12H,1,10H2,2H3
• InChIKey: DOHFQXZWAAHDQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-7-(prop-2-en-1-yloxy)-4H-chromen-4-one
• IUPAC Traditional name: 3-(2-methoxyphenyl)-7-(prop-2-en-1-yloxy)chromen-4-one

Database IDs

• PubChem SID: 164245507
• PubChem CID: 1571982

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7534757
• LogD (pH = 7.4): 3.7534757
• Log P: 3.7534757
• Molar Refractivity: 87.8293 cm^3
• Polarizability: 33.74359 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds