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

C18H13FO3 — CID 20831470

IUPAC(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCOc1ccc(C2=C/C(=C\c3ccccc3F)C(=O)O2)cc1
InChIInChI=1S/C18H13FO3/c1-21-15-8-6-12(7-9-15)17-11-14(18(20)22-17)10-13-4-2-3-5-16(13)19/h2-11H,1H3/b14-10+
InChIKeyVPCZKSVNQHLQCP-GXDHUFHOSA-N
MW296.30 g/mol
LogP3.82
Rot. Bonds3

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

(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (PubChem CID 20831470) has the molecular formula C18H13FO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
PubChem CID20831470
Molecular FormulaC18H13FO3
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
SMILESCOc1ccc(C2=C/C(=C\c3ccccc3F)C(=O)O2)cc1
InChIInChI=1S/C18H13FO3/c1-21-15-8-6-12(7-9-15)17-11-14(18(20)22-17)10-13-4-2-3-5-16(13)19/h2-11H,1H3/b14-10+
InChIKeyVPCZKSVNQHLQCP-GXDHUFHOSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.82
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 (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)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-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3Z)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 2296420
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126057330
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263582
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642
[2-methoxy-6-[[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 2880838
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The IUPAC name of (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one (CID 20831470) is (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one.
What is the SMILES notation for (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The canonical SMILES for (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one is COc1ccc(C2=C/C(=C\c3ccccc3F)C(=O)O2)cc1.
What is the InChIKey of (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
The InChIKey is VPCZKSVNQHLQCP-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H13FO3/c1-21-15-8-6-12(7-9-15)17-11-14(18(20)22-17)10-13-4-2-3-5-16(13)19/h2-11H,1H3/b14-10+.
What are the key properties of (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one?
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one is sourced from PubChem (CID 20831470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).