8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one

C25H15FO4 — CID 44599243

IUPAC8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C25H15FO4/c1-14-13-20(27)30-24-18(14)11-12-19-22(24)21(15-7-9-17(26)10-8-15)25(29-19)23(28)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyFAKJSGKIEMJNBL-UHFFFAOYSA-N
MW398.39 g/mol
LogP5.88
Rot. Bonds3

About 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one

8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one (PubChem CID 44599243) has the molecular formula C25H15FO4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
PubChem CID44599243
Molecular FormulaC25H15FO4
Molecular Weight398.39 g/mol
Exact Mass398.10
IUPAC Name8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C25H15FO4/c1-14-13-20(27)30-24-18(14)11-12-19-22(24)21(15-7-9-17(26)10-8-15)25(29-19)23(28)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyFAKJSGKIEMJNBL-UHFFFAOYSA-N
XLogP5.88
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one (CID 44599243) is 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc(F)cc3)c12.
What is the InChIKey of 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one?
The InChIKey is FAKJSGKIEMJNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FO4/c1-14-13-20(27)30-24-18(14)11-12-19-22(24)21(15-7-9-17(26)10-8-15)25(29-19)23(28)16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one?
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one has a molecular weight of 398.39 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44599243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).