3-(5-chloro-2-ethoxyphenyl)propanoyl chloride

C11H12Cl2O2 — CID 82041837

IUPAC3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
SMILESCCOc1ccc(Cl)cc1CCC(=O)Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyWGNPQLCCLJUFRC-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.44
Rot. Bonds5

About 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride

3-(5-chloro-2-ethoxyphenyl)propanoyl chloride (PubChem CID 82041837) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride.

Molecular Properties

Compound Name3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
PubChem CID82041837
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
SMILESCCOc1ccc(Cl)cc1CCC(=O)Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyWGNPQLCCLJUFRC-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.44
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-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
3-[5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate
CID 42232164
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
(4-chloro-2-ethylphenyl) hydrogen carbonate
CID 67350098
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
CID 82041781
5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120551499
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
4-[[(5-chloro-2-ethoxyphenyl)methylazaniumyl]methyl]benzoate
CID 40725772

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride?
The IUPAC name of 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride (CID 82041837) is 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride.
What is the SMILES notation for 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride?
The canonical SMILES for 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride is CCOc1ccc(Cl)cc1CCC(=O)Cl.
What is the InChIKey of 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride?
The InChIKey is WGNPQLCCLJUFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride?
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride has a molecular weight of 247.12 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethoxyphenyl)propanoyl chloride is sourced from PubChem (CID 82041837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).