4-chloro-1-hydroxyhexan-3-one

C6H11ClO2 — CID 45119147

IUPAC4-chloro-1-hydroxyhexan-3-one
SMILESCCC(Cl)C(=O)CCO
InChIInChI=1S/C6H11ClO2/c1-2-5(7)6(9)3-4-8/h5,8H,2-4H2,1H3
InChIKeyAOEYGOGGPPCPHR-UHFFFAOYSA-N
MW150.60 g/mol
LogP0.96
Rot. Bonds4

About 4-chloro-1-hydroxyhexan-3-one

4-chloro-1-hydroxyhexan-3-one (PubChem CID 45119147) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 4-chloro-1-hydroxyhexan-3-one.

Molecular Properties

Compound Name4-chloro-1-hydroxyhexan-3-one
PubChem CID45119147
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name4-chloro-1-hydroxyhexan-3-one
SMILESCCC(Cl)C(=O)CCO
InChIInChI=1S/C6H11ClO2/c1-2-5(7)6(9)3-4-8/h5,8H,2-4H2,1H3
InChIKeyAOEYGOGGPPCPHR-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-hydroxyhexan-3-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

3-Chloro-5-hydroxy-2-pentanone
CID 4086860
1,1-Dichloro-5-hydroxyhexan-3-one
CID 91589454
Chlorohydroxypent-anone
CID 129729646
(5S)-6-chloro-5-hydroxyhexan-3-one
CID 10888083
5-Chloro-4-hydroxypentan-2-one
CID 13963170
(4S)-5-chloro-4-hydroxypentan-2-one
CID 13963171
3-Chloro-4-hydroxypentan-2-one
CID 20031572
Actinium;1-chloro-6-hydroxyhexan-2-one
CID 20824367
1-Chloro-6-hydroxy-2-hexanone
CID 20824368
2-Hexanone, 3-chloro-6-hydroxy-
CID 45119125
3-Chloro-7-hydroxyheptan-2-one
CID 53819407
1-Chloro-5-hydroxypentan-3-one
CID 55301134

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxyhexan-3-one?
The IUPAC name of 4-chloro-1-hydroxyhexan-3-one (CID 45119147) is 4-chloro-1-hydroxyhexan-3-one.
What is the SMILES notation for 4-chloro-1-hydroxyhexan-3-one?
The canonical SMILES for 4-chloro-1-hydroxyhexan-3-one is CCC(Cl)C(=O)CCO.
What is the InChIKey of 4-chloro-1-hydroxyhexan-3-one?
The InChIKey is AOEYGOGGPPCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-2-5(7)6(9)3-4-8/h5,8H,2-4H2,1H3.
What are the key properties of 4-chloro-1-hydroxyhexan-3-one?
4-chloro-1-hydroxyhexan-3-one has a molecular weight of 150.60 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxyhexan-3-one is sourced from PubChem (CID 45119147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).