2-chloro-4-hydroxy-2-methylbutanoic acid

C5H9ClO3 — CID 54026852

IUPAC2-chloro-4-hydroxy-2-methylbutanoic acid
SMILESCC(Cl)(CCO)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-5(6,2-3-7)4(8)9/h7H,2-3H2,1H3,(H,8,9)
InChIKeyLCUAFNFMBSYCDP-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.45
Rot. Bonds3

About 2-chloro-4-hydroxy-2-methylbutanoic acid

2-chloro-4-hydroxy-2-methylbutanoic acid (PubChem CID 54026852) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-chloro-4-hydroxy-2-methylbutanoic acid
PubChem CID54026852
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name2-chloro-4-hydroxy-2-methylbutanoic acid
SMILESCC(Cl)(CCO)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-5(6,2-3-7)4(8)9/h7H,2-3H2,1H3,(H,8,9)
InChIKeyLCUAFNFMBSYCDP-UHFFFAOYSA-N
XLogP0.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-methylheptanoic acid
CID 154037694
3,3-dichloro-5-hydroxypentan-2-one
CID 11105805
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
(2R)-2-chloro-6-ethoxy-2-methyl-6-oxohexanoic acid
CID 58434631
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
CID 139601458
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-2-methylbutanoic acid?
The IUPAC name of 2-chloro-4-hydroxy-2-methylbutanoic acid (CID 54026852) is 2-chloro-4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 2-chloro-4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 2-chloro-4-hydroxy-2-methylbutanoic acid is CC(Cl)(CCO)C(=O)O.
What is the InChIKey of 2-chloro-4-hydroxy-2-methylbutanoic acid?
The InChIKey is LCUAFNFMBSYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-5(6,2-3-7)4(8)9/h7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-chloro-4-hydroxy-2-methylbutanoic acid?
2-chloro-4-hydroxy-2-methylbutanoic acid has a molecular weight of 152.58 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 54026852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).