2-(2-chlorophenoxy)butanoyl chloride

C10H10Cl2O2 — CID 13239462

IUPAC2-(2-chlorophenoxy)butanoyl chloride
SMILESCCC(Oc1ccccc1Cl)C(=O)Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3
InChIKeyRKCZDSUAJYDITF-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-chlorophenoxy)butanoyl chloride

2-(2-chlorophenoxy)butanoyl chloride (PubChem CID 13239462) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)butanoyl chloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)butanoyl chloride
PubChem CID13239462
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-(2-chlorophenoxy)butanoyl chloride
SMILESCCC(Oc1ccccc1Cl)C(=O)Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3
InChIKeyRKCZDSUAJYDITF-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)butanoyl chloride 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

(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
(2R)-2-(2-chlorophenoxy)butanoate
CID 7022542
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
CID 28575103
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)butanoyl chloride?
The IUPAC name of 2-(2-chlorophenoxy)butanoyl chloride (CID 13239462) is 2-(2-chlorophenoxy)butanoyl chloride.
What is the SMILES notation for 2-(2-chlorophenoxy)butanoyl chloride?
The canonical SMILES for 2-(2-chlorophenoxy)butanoyl chloride is CCC(Oc1ccccc1Cl)C(=O)Cl.
What is the InChIKey of 2-(2-chlorophenoxy)butanoyl chloride?
The InChIKey is RKCZDSUAJYDITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)butanoyl chloride?
2-(2-chlorophenoxy)butanoyl chloride has a molecular weight of 233.09 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)butanoyl chloride is sourced from PubChem (CID 13239462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).