ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate

C10H10Cl2O4 — CID 170855720

IUPACethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OC)c(O)c1Cl
InChIInChI=1S/C10H10Cl2O4/c1-3-16-10(14)5-4-6(11)9(15-2)8(13)7(5)12/h4,13H,3H2,1-2H3
InChIKeyJIAYOBRQZBFPQD-UHFFFAOYSA-N
MW265.09 g/mol
LogP2.88
Rot. Bonds3

About ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate

ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate (PubChem CID 170855720) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
PubChem CID170855720
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Nameethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OC)c(O)c1Cl
InChIInChI=1S/C10H10Cl2O4/c1-3-16-10(14)5-4-6(11)9(15-2)8(13)7(5)12/h4,13H,3H2,1-2H3
InChIKeyJIAYOBRQZBFPQD-UHFFFAOYSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2,3-dichloro-5-methoxybenzoate
CID 171006431
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
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 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
ethyl 2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-2-oxoacetate
CID 117466332
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
ethyl 3,4,5-trichlorobenzoate
CID 14692896

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate?
The IUPAC name of ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate (CID 170855720) is ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate.
What is the SMILES notation for ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate?
The canonical SMILES for ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate is CCOC(=O)c1cc(Cl)c(OC)c(O)c1Cl.
What is the InChIKey of ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate?
The InChIKey is JIAYOBRQZBFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-3-16-10(14)5-4-6(11)9(15-2)8(13)7(5)12/h4,13H,3H2,1-2H3.
What are the key properties of ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate?
ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate has a molecular weight of 265.09 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 170855720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).