2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone

C10H9Cl3O2 — CID 82553894

IUPAC2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
SMILESCCOc1cc(Cl)c(Cl)cc1C(=O)CCl
InChIInChI=1S/C10H9Cl3O2/c1-2-15-10-4-8(13)7(12)3-6(10)9(14)5-11/h3-4H,2,5H2,1H3
InChIKeyDIJGJMDOPLWMQG-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.81
Rot. Bonds4

About 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone

2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone (PubChem CID 82553894) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
PubChem CID82553894
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
SMILESCCOc1cc(Cl)c(Cl)cc1C(=O)CCl
InChIInChI=1S/C10H9Cl3O2/c1-2-15-10-4-8(13)7(12)3-6(10)9(14)5-11/h3-4H,2,5H2,1H3
InChIKeyDIJGJMDOPLWMQG-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone 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-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
4-chloro-1-(2,5-dichloro-4-ethoxyphenyl)butan-1-one
CID 105400923
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262
2-chloro-4,5-diethoxybenzamide
CID 82268164
1-(5-chloro-2,4-diethoxyphenyl)prop-2-en-1-one
CID 83959343
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82627725
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579
1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
CID 82053093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone (CID 82553894) is 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone is CCOc1cc(Cl)c(Cl)cc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone?
The InChIKey is DIJGJMDOPLWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c1-2-15-10-4-8(13)7(12)3-6(10)9(14)5-11/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone?
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone has a molecular weight of 267.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone is sourced from PubChem (CID 82553894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).