(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one

C19H15FO4 — CID 126059452

IUPAC(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c(OC)c1
InChIInChI=1S/C19H15FO4/c1-22-16-8-5-13(17(11-16)23-2)9-14-10-18(24-19(14)21)12-3-6-15(20)7-4-12/h3-11H,1-2H3/b14-9+
InChIKeyJMTWEXRTIHEYDA-NTEUORMPSA-N
MW326.32 g/mol
LogP3.82
Rot. Bonds4

About (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one

(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one (PubChem CID 126059452) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
PubChem CID126059452
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c(OC)c1
InChIInChI=1S/C19H15FO4/c1-22-16-8-5-13(17(11-16)23-2)9-14-10-18(24-19(14)21)12-3-6-15(20)7-4-12/h3-11H,1-2H3/b14-9+
InChIKeyJMTWEXRTIHEYDA-NTEUORMPSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126057330
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642
(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263582
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
CID 899734
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
[2-methoxy-6-[[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 2880838
3-[(2,3-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 867927
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-one
CID 108936708

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one?
The IUPAC name of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one (CID 126059452) is (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one.
What is the SMILES notation for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one?
The canonical SMILES for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one is COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c(OC)c1.
What is the InChIKey of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one?
The InChIKey is JMTWEXRTIHEYDA-NTEUORMPSA-N. The full InChI is InChI=1S/C19H15FO4/c1-22-16-8-5-13(17(11-16)23-2)9-14-10-18(24-19(14)21)12-3-6-15(20)7-4-12/h3-11H,1-2H3/b14-9+.
What are the key properties of (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one?
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one has a molecular weight of 326.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one is sourced from PubChem (CID 126059452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).