2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid

C8H8O5 — CID 23345991

IUPAC2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H8O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKeyACBSELYNRWEGMU-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.22
Rot. Bonds2

About 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid

2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 23345991) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
PubChem CID23345991
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H8O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKeyACBSELYNRWEGMU-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-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 117286015
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
2-hydroxy-2-[3-hydroxy-5-(3-oxopropyl)phenyl]acetic acid
CID 134657253
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
CID 70480259
CID 70480259
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid (CID 23345991) is 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is ACBSELYNRWEGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,9-11H,(H,12,13).
What are the key properties of 2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid?
2-(3,5-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-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 23345991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).