7-ethoxy-8-propyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase ID: 180859
• Molecular Formular: C17H20O3
• Molecular Mass: 272.3389
• Monoisotopic Mass: 272.1412445
• SMILES: c12c3c(oc(=O)c1CCC2)cc(c(c3)CCC)OCC
• Canonical SMILES: CCCc1cc2c(cc1OCC)oc(=O)c1c2CCC1
• InChI: InChI=1S/C17H20O3/c1-3-6-11-9-14-12-7-5-8-13(12)17(18)20-16(14)10-15(11)19-4-2/h9-10H,3-8H2,1-2H3
• InChIKey: SLHXGBSBXIJANQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-8-propyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC Traditional name: 7-ethoxy-8-propyl-1H,2H,3H-cyclopenta[c]chromen-4-one

Database IDs

• PubChem SID: 164236769
• PubChem CID: 1747690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.060843
• LogD (pH = 7.4): 4.060843
• Log P: 4.060843
• Molar Refractivity: 78.4415 cm^3
• Polarizability: 30.296339 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds