2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid

C11H14O4 — CID 117300050

IUPAC2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(C(O)C(=O)O)c(C)cc1O
InChIInChI=1S/C11H14O4/c1-3-7-5-8(10(13)11(14)15)6(2)4-9(7)12/h4-5,10,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyCXRGSZRTYLEUGR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds3

About 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid

2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117300050) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID117300050
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(C(O)C(=O)O)c(C)cc1O
InChIInChI=1S/C11H14O4/c1-3-7-5-8(10(13)11(14)15)6(2)4-9(7)12/h4-5,10,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyCXRGSZRTYLEUGR-UHFFFAOYSA-N
XLogP1.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 90971466
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
3-amino-3-(5-ethyl-2,4-dihydroxyphenyl)propanoic acid
CID 84790025
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
4-amino-2-ethyl-5-methylphenol
CID 105429592
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119002363
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid (CID 117300050) is 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid is CCc1cc(C(O)C(=O)O)c(C)cc1O.
What is the InChIKey of 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is CXRGSZRTYLEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-7-5-8(10(13)11(14)15)6(2)4-9(7)12/h4-5,10,12-13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid?
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117300050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).