5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one

C24H17FO3 — CID 5140371

IUPAC5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=CC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H17FO3/c25-21-10-8-19(9-11-21)23-15-20(24(26)28-23)14-17-6-12-22(13-7-17)27-16-18-4-2-1-3-5-18/h1-15H,16H2
InChIKeyRMJGABKBJVUOBA-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.39
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one

5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one (PubChem CID 5140371) has the molecular formula C24H17FO3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
PubChem CID5140371
Molecular FormulaC24H17FO3
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=CC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H17FO3/c25-21-10-8-19(9-11-21)23-15-20(24(26)28-23)14-17-6-12-22(13-7-17)27-16-18-4-2-1-3-5-18/h1-15H,16H2
InChIKeyRMJGABKBJVUOBA-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-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

5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
(3E)-5-(3,4-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 126062019
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one (CID 5140371) is 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one is O=C1OC(c2ccc(F)cc2)=CC1=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
The InChIKey is RMJGABKBJVUOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO3/c25-21-10-8-19(9-11-21)23-15-20(24(26)28-23)14-17-6-12-22(13-7-17)27-16-18-4-2-1-3-5-18/h1-15H,16H2.
What are the key properties of 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one?
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one has a molecular weight of 372.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 5140371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).