5-ethyl-3-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186174
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: c12c(c(cc(=O)o1)CC)cc1c(c2)occ1C
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(C)coc1c2
• InChI: InChI=1S/C14H12O3/c1-3-9-4-14(15)17-13-6-12-10(5-11(9)13)8(2)7-16-12/h4-7H,3H2,1-2H3
• InChIKey: UYAKQCXJDPAQPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-ethyl-3-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242084
• PubChem CID: 707697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1998677
• LogD (pH = 7.4): 3.1998677
• Log P: 3.1998677
• Molar Refractivity: 64.3139 cm^3
• Polarizability: 25.52109 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds