(8Z)-8-[(4-methoxyphenyl)methylidene]-4-methyl-2H,8H,9H-furo[2,3-h]chromene-2,9-dione

• ChemBase ID: 189943
• Molecular Formular: C20H14O5
• Molecular Mass: 334.32216
• Monoisotopic Mass: 334.08412355
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2O/C(=C\c2ccc(cc2)OC)/C1=O
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C20H14O5/c1-11-9-17(21)25-20-14(11)7-8-15-18(20)19(22)16(24-15)10-12-3-5-13(23-2)6-4-12/h3-10H,1-2H3/b16-10-
• InChIKey: RJSZCUGBCVPEBX-YBEGLDIGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8Z)-8-[(4-methoxyphenyl)methylidene]-4-methyl-2H,8H,9H-furo[2,3-h]chromene-2,9-dione
• IUPAC Traditional name: (8Z)-8-[(4-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

Database IDs

• PubChem SID: 164245853
• PubChem CID: 5848849

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1541114
• LogD (pH = 7.4): 3.1541114
• Log P: 3.1541114
• Molar Refractivity: 93.2821 cm^3
• Polarizability: 35.003674 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds