2-(3,5-dichlorophenoxy)butanoyl chloride

C10H9Cl3O2 — CID 13239466

IUPAC2-(3,5-dichlorophenoxy)butanoyl chloride
SMILESCCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl
InChIInChI=1S/C10H9Cl3O2/c1-2-9(10(13)14)15-8-4-6(11)3-7(12)5-8/h3-5,9H,2H2,1H3
InChIKeyUFWSTLURZCKNHB-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.92
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)butanoyl chloride

2-(3,5-dichlorophenoxy)butanoyl chloride (PubChem CID 13239466) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)butanoyl chloride.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)butanoyl chloride
PubChem CID13239466
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name2-(3,5-dichlorophenoxy)butanoyl chloride
SMILESCCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl
InChIInChI=1S/C10H9Cl3O2/c1-2-9(10(13)14)15-8-4-6(11)3-7(12)5-8/h3-5,9H,2H2,1H3
InChIKeyUFWSTLURZCKNHB-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
(2R)-2-(4-fluorophenoxy)butanoyl chloride
CID 51980396
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
(E)-4-[2-(3,5-dichlorophenoxy)butanoylamino]-4-methylpent-2-enoic acid
CID 178117843
2-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)butanoyl chloride?
The IUPAC name of 2-(3,5-dichlorophenoxy)butanoyl chloride (CID 13239466) is 2-(3,5-dichlorophenoxy)butanoyl chloride.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)butanoyl chloride?
The canonical SMILES for 2-(3,5-dichlorophenoxy)butanoyl chloride is CCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl.
What is the InChIKey of 2-(3,5-dichlorophenoxy)butanoyl chloride?
The InChIKey is UFWSTLURZCKNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c1-2-9(10(13)14)15-8-4-6(11)3-7(12)5-8/h3-5,9H,2H2,1H3.
What are the key properties of 2-(3,5-dichlorophenoxy)butanoyl chloride?
2-(3,5-dichlorophenoxy)butanoyl chloride has a molecular weight of 267.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)butanoyl chloride is sourced from PubChem (CID 13239466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).