ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate

C10H10Cl2O3 — CID 171030260

IUPACethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C10H10Cl2O3/c1-2-15-8(13)5-6-3-4-7(11)9(12)10(6)14/h3-4,14H,2,5H2,1H3
InChIKeyKNSNOFFKCFOFOW-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.80
Rot. Bonds3

About ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate

ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate (PubChem CID 171030260) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
PubChem CID171030260
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Nameethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C10H10Cl2O3/c1-2-15-8(13)5-6-3-4-7(11)9(12)10(6)14/h3-4,14H,2,5H2,1H3
InChIKeyKNSNOFFKCFOFOW-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate 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

ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 2-(2-chloro-3-cyano-4-ethylphenyl)acetate
CID 134615165
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
ethyl 2-(3-cyano-2-hydroxy-4-methylphenyl)acetate
CID 134632991
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-(2,3-dichloro-5-formylphenyl)acetate
CID 171006430

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate (CID 171030260) is ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate is CCOC(=O)Cc1ccc(Cl)c(Cl)c1O.
What is the InChIKey of ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The InChIKey is KNSNOFFKCFOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-2-15-8(13)5-6-3-4-7(11)9(12)10(6)14/h3-4,14H,2,5H2,1H3.
What are the key properties of ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate?
ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate has a molecular weight of 249.09 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate is sourced from PubChem (CID 171030260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).