methyl 2-(2,6-dichlorophenyl)acetate

C9H8Cl2O2 — CID 2734107

IUPACmethyl 2-(2,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3
InChIKeyFCWRUYPZZJPCCG-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.71
Rot. Bonds2

About methyl 2-(2,6-dichlorophenyl)acetate

methyl 2-(2,6-dichlorophenyl)acetate (PubChem CID 2734107) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is methyl 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-dichlorophenyl)acetate
PubChem CID2734107
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Namemethyl 2-(2,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3
InChIKeyFCWRUYPZZJPCCG-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-(2,6-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 methyl 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(2,6-dichlorophenyl)acetate (CID 2734107) is methyl 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(2,6-dichlorophenyl)acetate is COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-(2,6-dichlorophenyl)acetate?
The InChIKey is FCWRUYPZZJPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2,6-dichlorophenyl)acetate?
methyl 2-(2,6-dichlorophenyl)acetate has a molecular weight of 219.07 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2734107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).