4-oxo-3-phenyl-4H-chromen-7-yl cyclopropanecarboxylate

• ChemBase ID: 197286
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)C1CC1)cc2)c1ccccc1
• Canonical SMILES: O=C(C1CC1)Oc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C19H14O4/c20-18-15-9-8-14(23-19(21)13-6-7-13)10-17(15)22-11-16(18)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2
• InChIKey: DYXAOVSDYQLGGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxo-3-phenyl-4H-chromen-7-yl cyclopropanecarboxylate
• IUPAC Traditional name: 4-oxo-3-phenylchromen-7-yl cyclopropanecarboxylate

Database IDs

• PubChem SID: 164253196
• PubChem CID: 907489

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7246256
• LogD (pH = 7.4): 3.7246256
• Log P: 3.7246256
• Molar Refractivity: 84.2718 cm^3
• Polarizability: 32.646923 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds