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

C17H10Cl2O2 — CID 5372529

IUPAC(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2O2/c18-14-5-1-11(2-6-14)9-13-10-16(21-17(13)20)12-3-7-15(19)8-4-12/h1-10H/b13-9+
InChIKeyFVKNBYKHNNEYAJ-UKTHLTGXSA-N
MW317.17 g/mol
LogP4.97
Rot. Bonds2

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

(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one (PubChem CID 5372529) has the molecular formula C17H10Cl2O2 and a molecular weight of 317.17 g/mol. Its IUPAC name is (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one
PubChem CID5372529
Molecular FormulaC17H10Cl2O2
Molecular Weight317.17 g/mol
Exact Mass316.01
IUPAC Name(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2O2/c18-14-5-1-11(2-6-14)9-13-10-16(21-17(13)20)12-3-7-15(19)8-4-12/h1-10H/b13-9+
InChIKeyFVKNBYKHNNEYAJ-UKTHLTGXSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 54.97
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

3-(4-Chlorobenzal)phthalide, (Z)-
CID 6538043
Bis(4-chlorobenzoic) anhydride
CID 69923
Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester
CID 14251073
3-(2-Chlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)-furanone (3)
CID 129010584
3-(2,6-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)-furanone (13)
CID 129010586
3-(2,4-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)-furanone (14)
CID 129010587
9-(4-Chlorophenyl)-6,10-dioxaspiro[4.5]dec-8-en-7-one
CID 752490
(2S,3R)-2-(4-chlorophenyl)-3-methyl-2,3-dihydropyran-6-one
CID 16725269
2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate
CID 71769136
2(3H)-Furanone, 3-benzylidene-5-phenyl-
CID 714692
5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one
CID 14492343
4-Chlorobenzyl benzoate
CID 74823

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one?
The IUPAC name of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one (CID 5372529) is (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one.
What is the SMILES notation for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one?
The canonical SMILES for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one is O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one?
The InChIKey is FVKNBYKHNNEYAJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H10Cl2O2/c18-14-5-1-11(2-6-14)9-13-10-16(21-17(13)20)12-3-7-15(19)8-4-12/h1-10H/b13-9+.
What are the key properties of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one?
(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one has a molecular weight of 317.17 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]furan-2-one is sourced from PubChem (CID 5372529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).