1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one

C12H14Cl2O2 — CID 107308073

IUPAC1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10,15H,2,4,7H2,1H3
InChIKeyOSYAZPWGSLMLCU-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one

1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one (PubChem CID 107308073) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one
PubChem CID107308073
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10,15H,2,4,7H2,1H3
InChIKeyOSYAZPWGSLMLCU-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one 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

1-(2,3-dichlorophenyl)-3-methoxyhexan-2-one
CID 107308025
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-methoxypentan-2-one
CID 107308022
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
3-[(2,3-dichlorophenyl)methyl]pentan-2-one
CID 107307026

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one (CID 107308073) is 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one is CCCC(O)C(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one?
The InChIKey is OSYAZPWGSLMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10,15H,2,4,7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one?
1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one has a molecular weight of 261.15 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one is sourced from PubChem (CID 107308073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).