7-hydroxy-3-(naphthalen-2-yloxy)-4H-chromen-4-one

• ChemBase ID: 189501
• Molecular Formular: C19H12O4
• Molecular Mass: 304.29618
• Monoisotopic Mass: 304.07355886
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)O)Oc1cc2c(cc1)cccc2
• Canonical SMILES: Oc1ccc2c(c1)occ(c2=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H12O4/c20-14-6-8-16-17(10-14)22-11-18(19(16)21)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,20H
• InChIKey: SNUDMLXHADUYIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-3-(naphthalen-2-yloxy)-4H-chromen-4-one
• IUPAC Traditional name: 7-hydroxy-3-(naphthalen-2-yloxy)chromen-4-one

Database IDs

• PubChem SID: 164245411
• PubChem CID: 5398531

CALCULATED PROPERTIES

• Acid pKa: 6.3330665
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8533595
• LogD (pH = 7.4): 2.8443997
• Log P: 3.91242
• Molar Refractivity: 85.9465 cm^3
• Polarizability: 33.987938 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds