6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

• ChemBase ID: 192119
• Molecular Formular: C18H14O5
• Molecular Mass: 310.30076
• Monoisotopic Mass: 310.08412355
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OC(=O)c1occc1)CCC3
• Canonical SMILES: O=C(c1ccco1)Oc1ccc2c(c1C)oc(=O)c1c2CCC1
• InChI: InChI=1S/C18H14O5/c1-10-14(22-18(20)15-6-3-9-21-15)8-7-12-11-4-2-5-13(11)17(19)23-16(10)12/h3,6-9H,2,4-5H2,1H3
• InChIKey: XCVIFCBSMKJKCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl furan-2-carboxylate
• IUPAC Traditional name: 6-methyl-4-oxo-1H,2H,3H-cyclopenta[c]chromen-7-yl furan-2-carboxylate

Database IDs

• PubChem SID: 164248029
• PubChem CID: 807199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6942508
• LogD (pH = 7.4): 3.6942508
• Log P: 3.6942508
• Molar Refractivity: 82.2215 cm^3
• Polarizability: 31.316217 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