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

C10H10Cl2O2 — CID 66039817

IUPAC3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-10(14,6-13)5-7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3
InChIKeyILJJVYAOEQPUTR-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.49
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal (PubChem CID 66039817) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
PubChem CID66039817
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-10(14,6-13)5-7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3
InChIKeyILJJVYAOEQPUTR-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
diethyl 2-[(3,4-dichlorophenyl)methyl]-2-methylpropanedioate
CID 103972592
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
CID 173396921

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal (CID 66039817) is 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal is CC(O)(C=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal?
The InChIKey is ILJJVYAOEQPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-10(14,6-13)5-7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal?
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal has a molecular weight of 233.09 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 66039817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).