6-oxo-6H-benzo[c]chromen-3-yl furan-2-carboxylate

• ChemBase ID: 192949
• Molecular Formular: C18H10O5
• Molecular Mass: 306.269
• Monoisotopic Mass: 306.05282342
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OC(=O)c1occc1
• Canonical SMILES: O=C(c1ccco1)Oc1ccc2c(c1)oc(=O)c1c2cccc1
• InChI: InChI=1S/C18H10O5/c19-17-14-5-2-1-4-12(14)13-8-7-11(10-16(13)23-17)22-18(20)15-6-3-9-21-15/h1-10H
• InChIKey: YYTRLXXIEMDJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxo-6H-benzo[c]chromen-3-yl furan-2-carboxylate
• IUPAC Traditional name: 6-oxobenzo[c]chromen-3-yl furan-2-carboxylate

Database IDs

• PubChem SID: 164248859
• PubChem CID: 703672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6470096
• LogD (pH = 7.4): 3.6470096
• Log P: 3.6470096
• Molar Refractivity: 81.1329 cm^3
• Polarizability: 32.128677 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds