ethyl 2-(3,4-dichlorophenyl)acetate

C10H10Cl2O2 — CID 2737422

IUPACethyl 2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKeyQAEBVJIVEPSFRK-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.10
Rot. Bonds3

About ethyl 2-(3,4-dichlorophenyl)acetate

ethyl 2-(3,4-dichlorophenyl)acetate (PubChem CID 2737422) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is ethyl 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichlorophenyl)acetate
PubChem CID2737422
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Nameethyl 2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKeyQAEBVJIVEPSFRK-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(3,4-dichlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-(3,4-dichlorophenyl)acetate (CID 2737422) is ethyl 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-(3,4-dichlorophenyl)acetate is CCOC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(3,4-dichlorophenyl)acetate?
The InChIKey is QAEBVJIVEPSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3,4-dichlorophenyl)acetate?
ethyl 2-(3,4-dichlorophenyl)acetate has a molecular weight of 233.09 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2737422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).