(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one

C18H10Cl2O3 — CID 2274407

IUPAC(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one
SMILESO=C1C=C(c2ccc(Cl)cc2)O/C1=C/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2O3/c19-13-5-1-11(2-6-13)15(21)9-18-16(22)10-17(23-18)12-3-7-14(20)8-4-12/h1-10H/b18-9+
InChIKeyLAHISJXGABGIKG-GIJQJNRQSA-N
MW345.18 g/mol
LogP4.70
Rot. Bonds3

About (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one

(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one (PubChem CID 2274407) has the molecular formula C18H10Cl2O3 and a molecular weight of 345.18 g/mol. Its IUPAC name is (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one.

Molecular Properties

Compound Name(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one
PubChem CID2274407
Molecular FormulaC18H10Cl2O3
Molecular Weight345.18 g/mol
Exact Mass344.00
IUPAC Name(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one
SMILESO=C1C=C(c2ccc(Cl)cc2)O/C1=C/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2O3/c19-13-5-1-11(2-6-13)15(21)9-18-16(22)10-17(23-18)12-3-7-14(20)8-4-12/h1-10H/b18-9+
InChIKeyLAHISJXGABGIKG-GIJQJNRQSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_M(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-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

3-(4-Chlorobenzal)phthalide, (Z)-
CID 6538043
5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate
CID 2732003
Bis(4-chlorobenzoic) anhydride
CID 69923
2-(4-chlorophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 739576
2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate
CID 71769136
[4-(3-chlorophenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
CID 487994
5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one
CID 14492343
4-Chlorobenzyl benzoate
CID 74823
3-(4-Chlorophenyl)isocoumarin
CID 13282114
(3-Chlorobenzoyl) 3-chlorobenzoate
CID 587349
4-Chlorobenzoic acid, benzyl ester
CID 347939
3-(4-Chlorobenzylidene)-5-phenylfuran-2(3h)-one
CID 1551569

Frequently Asked Questions

What is the IUPAC name of (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one?
The IUPAC name of (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one (CID 2274407) is (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one.
What is the SMILES notation for (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one?
The canonical SMILES for (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one is O=C1C=C(c2ccc(Cl)cc2)O/C1=C/C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one?
The InChIKey is LAHISJXGABGIKG-GIJQJNRQSA-N. The full InChI is InChI=1S/C18H10Cl2O3/c19-13-5-1-11(2-6-13)15(21)9-18-16(22)10-17(23-18)12-3-7-14(20)8-4-12/h1-10H/b18-9+.
What are the key properties of (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one?
(2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one has a molecular weight of 345.18 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethylidene]furan-3-one is sourced from PubChem (CID 2274407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).