8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C25H14F2O4 — CID 44555207

IUPAC8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3cc(F)ccc3F)c(-c3ccccc3)c12
InChIInChI=1S/C25H14F2O4/c1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-12-15(26)7-9-18(17)27/h2-12H,1H3
InChIKeyFOQFWZDDYIWMQN-UHFFFAOYSA-N
MW416.38 g/mol
LogP6.02
Rot. Bonds3

About 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44555207) has the molecular formula C25H14F2O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44555207
Molecular FormulaC25H14F2O4
Molecular Weight416.38 g/mol
Exact Mass416.09
IUPAC Name8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3cc(F)ccc3F)c(-c3ccccc3)c12
InChIInChI=1S/C25H14F2O4/c1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-12-15(26)7-9-18(17)27/h2-12H,1H3
InChIKeyFOQFWZDDYIWMQN-UHFFFAOYSA-N
XLogP6.02
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 56.02
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-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44555207) is 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cc(F)ccc3F)c(-c3ccccc3)c12.
What is the InChIKey of 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is FOQFWZDDYIWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F2O4/c1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-12-15(26)7-9-18(17)27/h2-12H,1H3.
What are the key properties of 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 416.38 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44555207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).