6-chloro-5-hydroxyhexanoic acid

C6H11ClO3 — CID 139906420

IUPAC6-chloro-5-hydroxyhexanoic acid
SMILESO=C(O)CCCC(O)CCl
InChIInChI=1S/C6H11ClO3/c7-4-5(8)2-1-3-6(9)10/h5,8H,1-4H2,(H,9,10)
InChIKeyGLBZHLMURIRFBU-UHFFFAOYSA-N
MW166.60 g/mol
LogP0.84
Rot. Bonds5

About 6-chloro-5-hydroxyhexanoic acid

6-chloro-5-hydroxyhexanoic acid (PubChem CID 139906420) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 6-chloro-5-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-chloro-5-hydroxyhexanoic acid
PubChem CID139906420
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name6-chloro-5-hydroxyhexanoic acid
SMILESO=C(O)CCCC(O)CCl
InChIInChI=1S/C6H11ClO3/c7-4-5(8)2-1-3-6(9)10/h5,8H,1-4H2,(H,9,10)
InChIKeyGLBZHLMURIRFBU-UHFFFAOYSA-N
XLogP0.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-5-hydroxyhexanoic acid 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

(3S)-3-hydroxyheptanedioic acid
CID 87737490
5-hydroxytridecanedioic acid
CID 139805426
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
(5R)-5-hydroxyheptanoic acid
CID 14029725
5,5-dihydroxypentanoic acid
CID 57194054
5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
3-hydroxyoctanedioic acid
CID 22328017
2-(5-hydroxyheptyl)hexanedioic acid
CID 134209805
5-hydroxyhexadecanoic acid
CID 5312761
5-hydroxyoct-7-enoic acid
CID 10953792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-hydroxyhexanoic acid?
The IUPAC name of 6-chloro-5-hydroxyhexanoic acid (CID 139906420) is 6-chloro-5-hydroxyhexanoic acid.
What is the SMILES notation for 6-chloro-5-hydroxyhexanoic acid?
The canonical SMILES for 6-chloro-5-hydroxyhexanoic acid is O=C(O)CCCC(O)CCl.
What is the InChIKey of 6-chloro-5-hydroxyhexanoic acid?
The InChIKey is GLBZHLMURIRFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c7-4-5(8)2-1-3-6(9)10/h5,8H,1-4H2,(H,9,10).
What are the key properties of 6-chloro-5-hydroxyhexanoic acid?
6-chloro-5-hydroxyhexanoic acid has a molecular weight of 166.60 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hydroxyhexanoic acid is sourced from PubChem (CID 139906420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).