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

C19H15FO4 — CID 899734

IUPAC5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=CC(=Cc3ccc(F)cc3)C(=O)O2)cc1OC
InChIInChI=1S/C19H15FO4/c1-22-16-8-5-13(10-18(16)23-2)17-11-14(19(21)24-17)9-12-3-6-15(20)7-4-12/h3-11H,1-2H3
InChIKeyUVFJQWDTZLNRKY-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.82
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one (PubChem CID 899734) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
PubChem CID899734
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=CC(=Cc3ccc(F)cc3)C(=O)O2)cc1OC
InChIInChI=1S/C19H15FO4/c1-22-16-8-5-13(10-18(16)23-2)17-11-14(19(21)24-17)9-12-3-6-15(20)7-4-12/h3-11H,1-2H3
InChIKeyUVFJQWDTZLNRKY-UHFFFAOYSA-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

3-[(3,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethylphenyl)furan-2-one
CID 809096
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126057330
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3Z)-5-(3,4-dimethoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 795115
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
CID 7316932
(3Z)-5-(3,4-dimethylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 5441770
5-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one
CID 4058017
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 2256990

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one (CID 899734) is 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one is COc1ccc(C2=CC(=Cc3ccc(F)cc3)C(=O)O2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one?
The InChIKey is UVFJQWDTZLNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-22-16-8-5-13(10-18(16)23-2)17-11-14(19(21)24-17)9-12-3-6-15(20)7-4-12/h3-11H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one?
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]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 5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one is sourced from PubChem (CID 899734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).