ethyl 3,5-dichloro-4-hydroxybenzoate

C9H8Cl2O3 — CID 28460

IUPACethyl 3,5-dichloro-4-hydroxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
InChIKeyWMKNGSJJEMFQOT-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.88
Rot. Bonds2

About ethyl 3,5-dichloro-4-hydroxybenzoate

ethyl 3,5-dichloro-4-hydroxybenzoate (PubChem CID 28460) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is ethyl 3,5-dichloro-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3,5-dichloro-4-hydroxybenzoate
PubChem CID28460
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Nameethyl 3,5-dichloro-4-hydroxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
InChIKeyWMKNGSJJEMFQOT-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloro-4-hydroxybenzoate?
The IUPAC name of ethyl 3,5-dichloro-4-hydroxybenzoate (CID 28460) is ethyl 3,5-dichloro-4-hydroxybenzoate.
What is the SMILES notation for ethyl 3,5-dichloro-4-hydroxybenzoate?
The canonical SMILES for ethyl 3,5-dichloro-4-hydroxybenzoate is CCOC(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of ethyl 3,5-dichloro-4-hydroxybenzoate?
The InChIKey is WMKNGSJJEMFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3.
What are the key properties of ethyl 3,5-dichloro-4-hydroxybenzoate?
ethyl 3,5-dichloro-4-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 3,5-dichloro-4-hydroxybenzoate is sourced from PubChem (CID 28460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).