6-hexyl-3,5-dimethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188838
• Molecular Formular: C19H22O3
• Molecular Mass: 298.37618
• Monoisotopic Mass: 298.15689456
• SMILES: c1(c2c(oc(=O)c1CCCCCC)cc1c(c2)c(co1)C)C
• Canonical SMILES: CCCCCCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C19H22O3/c1-4-5-6-7-8-14-13(3)16-9-15-12(2)11-21-17(15)10-18(16)22-19(14)20/h9-11H,4-8H2,1-3H3
• InChIKey: UFIFLNMEUDLVCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hexyl-3,5-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-hexyl-3,5-dimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164244748
• PubChem CID: 1789055

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.373693
• LogD (pH = 7.4): 5.373693
• Log P: 5.373693
• Molar Refractivity: 87.075 cm^3
• Polarizability: 34.744972 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds