3-(2,4-dichlorophenyl)-2-methylpropanal

C10H10Cl2O — CID 91884147

IUPAC3-(2,4-dichlorophenyl)-2-methylpropanal
SMILESCC(C=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)5-10(8)12/h2-3,5-7H,4H2,1H3
InChIKeyJABLVSOPWGPKHV-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.37
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-2-methylpropanal

3-(2,4-dichlorophenyl)-2-methylpropanal (PubChem CID 91884147) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methylpropanal.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methylpropanal
PubChem CID91884147
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name3-(2,4-dichlorophenyl)-2-methylpropanal
SMILESCC(C=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)5-10(8)12/h2-3,5-7H,4H2,1H3
InChIKeyJABLVSOPWGPKHV-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.37
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

3-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884155
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
(Z)-3-[(2,4-dichlorophenyl)methyl]-4-methylpent-2-enoic acid
CID 82093437
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methylpropanal?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methylpropanal (CID 91884147) is 3-(2,4-dichlorophenyl)-2-methylpropanal.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methylpropanal?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methylpropanal is CC(C=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methylpropanal?
The InChIKey is JABLVSOPWGPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)5-10(8)12/h2-3,5-7H,4H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methylpropanal?
3-(2,4-dichlorophenyl)-2-methylpropanal has a molecular weight of 217.09 g/mol, XLogP of 3.37, 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)-2-methylpropanal is sourced from PubChem (CID 91884147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).