2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid

C8H8O5 — CID 117279696

IUPAC2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(O)cccc1O
InChIInChI=1S/C8H8O5/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKeyQNZJSJOCWSERAG-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.22
Rot. Bonds2

About 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid

2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117279696) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117279696
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(O)cccc1O
InChIInChI=1S/C8H8O5/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKeyQNZJSJOCWSERAG-UHFFFAOYSA-N
XLogP0.22
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
CID 135740859
CID 70117604
CID 70117604
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
2-(1-ethyl-7-hydroxy-2-methylindol-3-yl)-2-hydroxyacetic acid
CID 115073165
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid (CID 117279696) is 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1c(O)cccc1O.
What is the InChIKey of 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is QNZJSJOCWSERAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,9-11H,(H,12,13).
What are the key properties of 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid?
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 184.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).