(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one

C21H18Cl2O2 — CID 46240339

IUPAC(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one
SMILESCC(C)Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1
InChIInChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10-
InChIKeyZKLAGEHVLPQVLD-YVLHZVERSA-N
MW373.28 g/mol
LogP6.17
Rot. Bonds4

About (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one

(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one (PubChem CID 46240339) has the molecular formula C21H18Cl2O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one
PubChem CID46240339
Molecular FormulaC21H18Cl2O2
Molecular Weight373.28 g/mol
Exact Mass372.07
IUPAC Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one
SMILESCC(C)Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1
InChIInChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10-
InChIKeyZKLAGEHVLPQVLD-YVLHZVERSA-N
XLogP6.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]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

(3Z)-3-[(2-chlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one
CID 46240253
(3E)-3-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methylphenyl)furan-2-one
CID 96884905
(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263582
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 7171213
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
(3Z)-5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]furan-2-one
CID 177426149
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-ethylphenyl)furan-2-one
CID 2301109
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 5408622

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one?
The IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one (CID 46240339) is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one.
What is the SMILES notation for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one?
The canonical SMILES for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one is CC(C)Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1.
What is the InChIKey of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one?
The InChIKey is ZKLAGEHVLPQVLD-YVLHZVERSA-N. The full InChI is InChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10-.
What are the key properties of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one?
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one has a molecular weight of 373.28 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-5-[4-(2-methylpropyl)phenyl]furan-2-one is sourced from PubChem (CID 46240339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).