3-(2,4-dichlorophenyl)propanal;ethane

C11H14Cl2O — CID 143735610

IUPAC3-(2,4-dichlorophenyl)propanal;ethane
SMILESCC.O=CCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O.C2H6/c10-8-4-3-7(2-1-5-12)9(11)6-8;1-2/h3-6H,1-2H2;1-2H3
InChIKeyABVARBSWDSHEGH-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.15
Rot. Bonds3

About 3-(2,4-dichlorophenyl)propanal;ethane

3-(2,4-dichlorophenyl)propanal;ethane (PubChem CID 143735610) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)propanal;ethane.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)propanal;ethane
PubChem CID143735610
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name3-(2,4-dichlorophenyl)propanal;ethane
SMILESCC.O=CCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O.C2H6/c10-8-4-3-7(2-1-5-12)9(11)6-8;1-2/h3-6H,1-2H2;1-2H3
InChIKeyABVARBSWDSHEGH-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
3-(2-bromo-4-chlorophenyl)propanal
CID 117372251
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
5-chloro-2-(3-oxopropyl)benzoic acid
CID 19737241
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
CID 67875252
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)propanal;ethane?
The IUPAC name of 3-(2,4-dichlorophenyl)propanal;ethane (CID 143735610) is 3-(2,4-dichlorophenyl)propanal;ethane.
What is the SMILES notation for 3-(2,4-dichlorophenyl)propanal;ethane?
The canonical SMILES for 3-(2,4-dichlorophenyl)propanal;ethane is CC.O=CCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)propanal;ethane?
The InChIKey is ABVARBSWDSHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O.C2H6/c10-8-4-3-7(2-1-5-12)9(11)6-8;1-2/h3-6H,1-2H2;1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)propanal;ethane?
3-(2,4-dichlorophenyl)propanal;ethane has a molecular weight of 233.14 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)propanal;ethane is sourced from PubChem (CID 143735610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).