ethyl 2,6-dichloro-3-methylbenzoate

C10H10Cl2O2 — CID 130783153

IUPACethyl 2,6-dichloro-3-methylbenzoate
SMILESCCOC(=O)c1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3
InChIKeyZUSYJIVJYYGIDH-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.48
Rot. Bonds2

About ethyl 2,6-dichloro-3-methylbenzoate

ethyl 2,6-dichloro-3-methylbenzoate (PubChem CID 130783153) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is ethyl 2,6-dichloro-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2,6-dichloro-3-methylbenzoate
PubChem CID130783153
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Nameethyl 2,6-dichloro-3-methylbenzoate
SMILESCCOC(=O)c1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3
InChIKeyZUSYJIVJYYGIDH-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 2,6-dichloro-3-nitrobenzoate
CID 43448985
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 2-(bromomethyl)-3,6-dichlorobenzoate
CID 86723724
ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 2,6-dimethylbenzoate
CID 520807
2,5-dichloro-4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 139767095

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dichloro-3-methylbenzoate?
The IUPAC name of ethyl 2,6-dichloro-3-methylbenzoate (CID 130783153) is ethyl 2,6-dichloro-3-methylbenzoate.
What is the SMILES notation for ethyl 2,6-dichloro-3-methylbenzoate?
The canonical SMILES for ethyl 2,6-dichloro-3-methylbenzoate is CCOC(=O)c1c(Cl)ccc(C)c1Cl.
What is the InChIKey of ethyl 2,6-dichloro-3-methylbenzoate?
The InChIKey is ZUSYJIVJYYGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,6-dichloro-3-methylbenzoate?
ethyl 2,6-dichloro-3-methylbenzoate has a molecular weight of 233.09 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dichloro-3-methylbenzoate is sourced from PubChem (CID 130783153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).