ethyl 3,6-dichloro-2-hydroxybenzoate

C9H8Cl2O3 — CID 130788208

IUPACethyl 3,6-dichloro-2-hydroxybenzoate
SMILESCCOC(=O)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C9H8Cl2O3/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4,12H,2H2,1H3
InChIKeyAFWNZIWMCYGDNU-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.88
Rot. Bonds2

About ethyl 3,6-dichloro-2-hydroxybenzoate

ethyl 3,6-dichloro-2-hydroxybenzoate (PubChem CID 130788208) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is ethyl 3,6-dichloro-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3,6-dichloro-2-hydroxybenzoate
PubChem CID130788208
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Nameethyl 3,6-dichloro-2-hydroxybenzoate
SMILESCCOC(=O)c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C9H8Cl2O3/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4,12H,2H2,1H3
InChIKeyAFWNZIWMCYGDNU-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
(3,6-dichloro-2-hydroxybenzoyl) 3,6-dichloro-2-hydroxybenzoate
CID 174951975
ethyl 2-(bromomethyl)-3,6-dichlorobenzoate
CID 86723724
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 3-chloro-2,6-bis(trifluoromethyl)benzoate
CID 167314000
ethyl 2,6-dichloro-3-nitrobenzoate
CID 43448985
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2,6-dichloro-4-iodobenzoate
CID 51341876

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dichloro-2-hydroxybenzoate?
The IUPAC name of ethyl 3,6-dichloro-2-hydroxybenzoate (CID 130788208) is ethyl 3,6-dichloro-2-hydroxybenzoate.
What is the SMILES notation for ethyl 3,6-dichloro-2-hydroxybenzoate?
The canonical SMILES for ethyl 3,6-dichloro-2-hydroxybenzoate is CCOC(=O)c1c(Cl)ccc(Cl)c1O.
What is the InChIKey of ethyl 3,6-dichloro-2-hydroxybenzoate?
The InChIKey is AFWNZIWMCYGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4,12H,2H2,1H3.
What are the key properties of ethyl 3,6-dichloro-2-hydroxybenzoate?
ethyl 3,6-dichloro-2-hydroxybenzoate has a molecular weight of 235.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dichloro-2-hydroxybenzoate is sourced from PubChem (CID 130788208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).