2,3,4,8,9-pentamethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 194184
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: c12c3oc(c(c3c(cc2oc(=O)c(c1C)C)C)C)C
• Canonical SMILES: Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C16H16O3/c1-7-6-12-14(8(2)9(3)16(17)19-12)15-13(7)10(4)11(5)18-15/h6H,1-5H3
• InChIKey: QQBVOGXUGKSKHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,8,9-pentamethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 2,3,4,8,9-pentamethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164250094
• PubChem CID: 906726

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8638322
• LogD (pH = 7.4): 3.8638322
• Log P: 3.8638322
• Molar Refractivity: 74.2609 cm^3
• Polarizability: 29.053383 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds