2-(1-chloropropan-2-yloxy)propanoic acid

C6H11ClO3 — CID 54360292

IUPAC2-(1-chloropropan-2-yloxy)propanoic acid
SMILESCC(CCl)OC(C)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-4(3-7)10-5(2)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyUMASEYULZWEOKS-UHFFFAOYSA-N
MW166.60 g/mol
LogP1.10
Rot. Bonds4

About 2-(1-chloropropan-2-yloxy)propanoic acid

2-(1-chloropropan-2-yloxy)propanoic acid (PubChem CID 54360292) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 2-(1-chloropropan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-(1-chloropropan-2-yloxy)propanoic acid
PubChem CID54360292
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name2-(1-chloropropan-2-yloxy)propanoic acid
SMILESCC(CCl)OC(C)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-4(3-7)10-5(2)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyUMASEYULZWEOKS-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloropropan-2-yloxy)propanoic 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

2-(2-Chloroethoxy)-2-methylpropanoic acid
CID 83226032
3-Chloro-2-hydroxypropyl acetate
CID 98069
Methyl 3-chloro-2-hydroxypropanoate
CID 12870056
3-Chloropropyl 2-hydroxypropanoate
CID 55302780
[(2R)-3-chloro-2-hydroxypropyl] acetate
CID 9815237
Ethyl 3-chloro-2-hydroxypropanoate
CID 12870054
1-Chloro-3-hydroxypropan-2-yl acetate
CID 15916401
[(2R)-1-chloro-3-hydroxypropan-2-yl] acetate
CID 55303783
2-(3-Chloro-2-hydroxypropanoyl)oxy-3-fluoropropanoic acid
CID 91222434
Propanoic acid, 2-[(chloroacetyl)oxy]-
CID 347470
Methyl 3-chloro-2-methoxypropanoate
CID 12641664
2-Chloroethyl 2-hydroxy-2-methylpropanoate
CID 18953229

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropropan-2-yloxy)propanoic acid?
The IUPAC name of 2-(1-chloropropan-2-yloxy)propanoic acid (CID 54360292) is 2-(1-chloropropan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-(1-chloropropan-2-yloxy)propanoic acid?
The canonical SMILES for 2-(1-chloropropan-2-yloxy)propanoic acid is CC(CCl)OC(C)C(=O)O.
What is the InChIKey of 2-(1-chloropropan-2-yloxy)propanoic acid?
The InChIKey is UMASEYULZWEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-4(3-7)10-5(2)6(8)9/h4-5H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-(1-chloropropan-2-yloxy)propanoic acid?
2-(1-chloropropan-2-yloxy)propanoic acid has a molecular weight of 166.60 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropan-2-yloxy)propanoic acid is sourced from PubChem (CID 54360292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).