3-(2,4-dichlorophenyl)prop-2-enal

C9H6Cl2O — CID 4193011

IUPAC3-(2,4-dichlorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H
InChIKeyXTFADZFHEYPMHK-UHFFFAOYSA-N
MW201.05 g/mol
LogP3.21
Rot. Bonds2

About 3-(2,4-dichlorophenyl)prop-2-enal

3-(2,4-dichlorophenyl)prop-2-enal (PubChem CID 4193011) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)prop-2-enal.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)prop-2-enal
PubChem CID4193011
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name3-(2,4-dichlorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H
InChIKeyXTFADZFHEYPMHK-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.21
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'}

Analyze 3-(2,4-dichlorophenyl)prop-2-enal 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

(E)-3-(2-chloro-4-hydroxyphenyl)prop-2-enal
CID 131234249
(E)-4-(2,4-dichlorophenyl)but-3-enal
CID 87333771
3-[4-chloro-2-(hydroxymethyl)phenyl]prop-2-enal
CID 169458967
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal
CID 75293985
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165
(2E,4E)-5-(2-chloro-4-methoxyphenyl)penta-2,4-dienal
CID 143512084
2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
CID 10686344
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
3-(2,3,4-trifluorophenyl)prop-2-enal
CID 73413418

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)prop-2-enal?
The IUPAC name of 3-(2,4-dichlorophenyl)prop-2-enal (CID 4193011) is 3-(2,4-dichlorophenyl)prop-2-enal.
What is the SMILES notation for 3-(2,4-dichlorophenyl)prop-2-enal?
The canonical SMILES for 3-(2,4-dichlorophenyl)prop-2-enal is O=CC=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)prop-2-enal?
The InChIKey is XTFADZFHEYPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H.
What are the key properties of 3-(2,4-dichlorophenyl)prop-2-enal?
3-(2,4-dichlorophenyl)prop-2-enal has a molecular weight of 201.05 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)prop-2-enal is sourced from PubChem (CID 4193011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).