2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid

C10H11ClO4 — CID 117333208

IUPAC2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(Cl)cc(C(O)C(=O)O)c1O
InChIInChI=1S/C10H11ClO4/c1-2-5-3-6(11)4-7(8(5)12)9(13)10(14)15/h3-4,9,12-13H,2H2,1H3,(H,14,15)
InChIKeyNWCGNBTUEFOWCM-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.73
Rot. Bonds3

About 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid

2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117333208) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117333208
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(Cl)cc(C(O)C(=O)O)c1O
InChIInChI=1S/C10H11ClO4/c1-2-5-3-6(11)4-7(8(5)12)9(13)10(14)15/h3-4,9,12-13H,2H2,1H3,(H,14,15)
InChIKeyNWCGNBTUEFOWCM-UHFFFAOYSA-N
XLogP1.73
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-amino-3-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)propanoic acid
CID 117397830
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[5-chloro-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656021
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid (CID 117333208) is 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid is CCc1cc(Cl)cc(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is NWCGNBTUEFOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-2-5-3-6(11)4-7(8(5)12)9(13)10(14)15/h3-4,9,12-13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid?
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 230.65 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117333208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).