5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one

C15H11FO3 — CID 664461

IUPAC5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
SMILESO=C1COc2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C15H11FO3/c16-11-3-1-10(2-4-11)8-18-12-5-6-15-13(7-12)14(17)9-19-15/h1-7H,8-9H2
InChIKeyLJGKZIOGYZEMQL-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.98
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one

5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one (PubChem CID 664461) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
PubChem CID664461
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
SMILESO=C1COc2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C15H11FO3/c16-11-3-1-10(2-4-11)8-18-12-5-6-15-13(7-12)14(17)9-19-15/h1-7H,8-9H2
InChIKeyLJGKZIOGYZEMQL-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxyflavone
CID 147157
3,6-Dihydroxyflavone
CID 688659
2-Methoxyxanthone
CID 71034
6,3'-Dimethoxyflavone
CID 676293
6,4'-Dimethoxyflavone
CID 688670
5-Methoxybenzofuran
CID 25943
3,6,4'-Trihydroxyflavone
CID 676308
4'-Methoxy-Aurone
CID 642384
3,6-Dimethoxyflavone
CID 676292
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
CID 5319482
3-Hydroxy-6-methoxyflavone
CID 688676
6,3'-Dimethoxy-3-Hydroxyflavone
CID 688835

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one (CID 664461) is 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one is O=C1COc2ccc(OCc3ccc(F)cc3)cc21.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is LJGKZIOGYZEMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-11-3-1-10(2-4-11)8-18-12-5-6-15-13(7-12)14(17)9-19-15/h1-7H,8-9H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one?
5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 258.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 664461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).