(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal

C15H8Cl4O — CID 87444708

IUPAC(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal
SMILESO=C/C(=C(/Cl)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl4O/c16-10-3-1-9(2-4-10)13(8-20)15(19)12-6-5-11(17)7-14(12)18/h1-8H/b15-13-
InChIKeyXQWKHKJOWPQPSH-SQFISAMPSA-N
MW346.04 g/mol
LogP5.95
Rot. Bonds3

About (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal

(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal (PubChem CID 87444708) has the molecular formula C15H8Cl4O and a molecular weight of 346.04 g/mol. Its IUPAC name is (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal
PubChem CID87444708
Molecular FormulaC15H8Cl4O
Molecular Weight346.04 g/mol
Exact Mass343.93
IUPAC Name(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal
SMILESO=C/C(=C(/Cl)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl4O/c16-10-3-1-9(2-4-10)13(8-20)15(19)12-6-5-11(17)7-14(12)18/h1-8H/b15-13-
InChIKeyXQWKHKJOWPQPSH-SQFISAMPSA-N
XLogP5.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 5386812
(Z)-3-bromo-3-(2,4-dichlorophenyl)prop-2-enal
CID 167435363
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 67019924
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
4-[3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5227575
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)buta-1,3-dien-1-one
CID 141173977
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal?
The IUPAC name of (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal (CID 87444708) is (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal.
What is the SMILES notation for (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal?
The canonical SMILES for (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal is O=C/C(=C(/Cl)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal?
The InChIKey is XQWKHKJOWPQPSH-SQFISAMPSA-N. The full InChI is InChI=1S/C15H8Cl4O/c16-10-3-1-9(2-4-10)13(8-20)15(19)12-6-5-11(17)7-14(12)18/h1-8H/b15-13-.
What are the key properties of (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal?
(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal has a molecular weight of 346.04 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal is sourced from PubChem (CID 87444708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).