2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid

C8H6Cl2O4 — CID 119022274

IUPAC2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C8H6Cl2O4/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyOCHGWSPFQSWPKX-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.82
Rot. Bonds2

About 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid

2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 119022274) has the molecular formula C8H6Cl2O4 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID119022274
Molecular FormulaC8H6Cl2O4
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C8H6Cl2O4/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyOCHGWSPFQSWPKX-UHFFFAOYSA-N
XLogP1.82
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877633
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 56840544
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid (CID 119022274) is 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is OCHGWSPFQSWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O4/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,11-12H,(H,13,14).
What are the key properties of 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid?
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 237.04 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119022274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).