ethyl 2,3-dichloro-5-methoxybenzoate

C10H10Cl2O3 — CID 171006431

IUPACethyl 2,3-dichloro-5-methoxybenzoate
SMILESCCOC(=O)c1cc(OC)cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-3-15-10(13)7-4-6(14-2)5-8(11)9(7)12/h4-5H,3H2,1-2H3
InChIKeyOGHSRVMSSGAKTN-UHFFFAOYSA-N
MW249.09 g/mol
LogP3.18
Rot. Bonds3

About ethyl 2,3-dichloro-5-methoxybenzoate

ethyl 2,3-dichloro-5-methoxybenzoate (PubChem CID 171006431) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is ethyl 2,3-dichloro-5-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2,3-dichloro-5-methoxybenzoate
PubChem CID171006431
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Nameethyl 2,3-dichloro-5-methoxybenzoate
SMILESCCOC(=O)c1cc(OC)cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-3-15-10(13)7-4-6(14-2)5-8(11)9(7)12/h4-5H,3H2,1-2H3
InChIKeyOGHSRVMSSGAKTN-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
CID 170855720
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 2-(chloromethyl)-3-fluoro-5-methoxybenzoate
CID 171019313
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 2-chloro-6-cyano-4-methoxybenzoate
CID 134650999
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
ethyl 3-(bromomethyl)-2-fluoro-5-methoxybenzoate
CID 130056344

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dichloro-5-methoxybenzoate?
The IUPAC name of ethyl 2,3-dichloro-5-methoxybenzoate (CID 171006431) is ethyl 2,3-dichloro-5-methoxybenzoate.
What is the SMILES notation for ethyl 2,3-dichloro-5-methoxybenzoate?
The canonical SMILES for ethyl 2,3-dichloro-5-methoxybenzoate is CCOC(=O)c1cc(OC)cc(Cl)c1Cl.
What is the InChIKey of ethyl 2,3-dichloro-5-methoxybenzoate?
The InChIKey is OGHSRVMSSGAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-3-15-10(13)7-4-6(14-2)5-8(11)9(7)12/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dichloro-5-methoxybenzoate?
ethyl 2,3-dichloro-5-methoxybenzoate has a molecular weight of 249.09 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dichloro-5-methoxybenzoate is sourced from PubChem (CID 171006431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).