(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one

C19H15ClO2 — CID 126058718

IUPAC(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
SMILESCc1ccc(C2=C/C(=C\c3cccc(Cl)c3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H15ClO2/c1-12-6-7-17(13(2)8-12)18-11-15(19(21)22-18)9-14-4-3-5-16(20)10-14/h3-11H,1-2H3/b15-9+
InChIKeyJHYBWEFPPMDNIB-OQLLNIDSSA-N
MW310.78 g/mol
LogP4.94
Rot. Bonds2

About (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one

(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one (PubChem CID 126058718) has the molecular formula C19H15ClO2 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
PubChem CID126058718
Molecular FormulaC19H15ClO2
Molecular Weight310.78 g/mol
Exact Mass310.08
IUPAC Name(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
SMILESCc1ccc(C2=C/C(=C\c3cccc(Cl)c3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H15ClO2/c1-12-6-7-17(13(2)8-12)18-11-15(19(21)22-18)9-14-4-3-5-16(20)10-14/h3-11H,1-2H3/b15-9+
InChIKeyJHYBWEFPPMDNIB-OQLLNIDSSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.94
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'}

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Related Compounds

(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one
CID 126066200
(3E)-5-(2,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methylidene]furan-2-one
CID 2277449
5-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 890303
methyl 4-[[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]benzoate
CID 3252015
(3E)-5-(2,5-dimethylphenyl)-3-[(3-methoxyphenyl)methylidene]furan-2-one
CID 126060625
3-[(2,6-dichlorophenyl)methylidene]-5-(2,5-dimethylphenyl)furan-2-one
CID 3114220
3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
CID 6149702
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 20831433
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(2,5-dimethylphenyl)furan-2-one
CID 2190362
3-[(3-methoxyphenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
CID 869164
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
CID 58237972
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-5-(2,5-dimethylphenyl)furan-2-one
CID 2188479

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one?
The IUPAC name of (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one (CID 126058718) is (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one.
What is the SMILES notation for (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one?
The canonical SMILES for (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one is Cc1ccc(C2=C/C(=C\c3cccc(Cl)c3)C(=O)O2)c(C)c1.
What is the InChIKey of (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one?
The InChIKey is JHYBWEFPPMDNIB-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H15ClO2/c1-12-6-7-17(13(2)8-12)18-11-15(19(21)22-18)9-14-4-3-5-16(20)10-14/h3-11H,1-2H3/b15-9+.
What are the key properties of (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one?
(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one has a molecular weight of 310.78 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one is sourced from PubChem (CID 126058718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).