2-chloroethyl 2-(2-chlorophenyl)acetate

C10H10Cl2O2 — CID 176908956

IUPAC2-chloroethyl 2-(2-chlorophenyl)acetate
SMILESO=C(Cc1ccccc1Cl)OCCCl
InChIInChI=1S/C10H10Cl2O2/c11-5-6-14-10(13)7-8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyIEGTZPNPUAJUAC-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.66
Rot. Bonds4

About 2-chloroethyl 2-(2-chlorophenyl)acetate

2-chloroethyl 2-(2-chlorophenyl)acetate (PubChem CID 176908956) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-chloroethyl 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name2-chloroethyl 2-(2-chlorophenyl)acetate
PubChem CID176908956
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-chloroethyl 2-(2-chlorophenyl)acetate
SMILESO=C(Cc1ccccc1Cl)OCCCl
InChIInChI=1S/C10H10Cl2O2/c11-5-6-14-10(13)7-8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyIEGTZPNPUAJUAC-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloroethyl 2-(2-chlorophenyl)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

[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
[3-[1,4,4-tris[3-[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]butyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 87352521
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
2-chloroethyl 3-phenylpropanoate
CID 13096483
sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
CID 23623782
[(Z)-4-azidobut-2-enyl] 2-(2-chlorophenyl)acetate
CID 166069242

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-(2-chlorophenyl)acetate?
The IUPAC name of 2-chloroethyl 2-(2-chlorophenyl)acetate (CID 176908956) is 2-chloroethyl 2-(2-chlorophenyl)acetate.
What is the SMILES notation for 2-chloroethyl 2-(2-chlorophenyl)acetate?
The canonical SMILES for 2-chloroethyl 2-(2-chlorophenyl)acetate is O=C(Cc1ccccc1Cl)OCCCl.
What is the InChIKey of 2-chloroethyl 2-(2-chlorophenyl)acetate?
The InChIKey is IEGTZPNPUAJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-5-6-14-10(13)7-8-3-1-2-4-9(8)12/h1-4H,5-7H2.
What are the key properties of 2-chloroethyl 2-(2-chlorophenyl)acetate?
2-chloroethyl 2-(2-chlorophenyl)acetate has a molecular weight of 233.09 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 176908956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).