2-(2,5-dihydroxyphenyl)acetic acid

C8H8O4 — CID 780

IUPAC2-(2,5-dihydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1O
InChIInChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKeyIGMNYECMUMZDDF-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.72
Rot. Bonds2

About 2-(2,5-dihydroxyphenyl)acetic acid

2-(2,5-dihydroxyphenyl)acetic acid (PubChem CID 780) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2,5-dihydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxyphenyl)acetic acid
PubChem CID780
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name2-(2,5-dihydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1O
InChIInChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKeyIGMNYECMUMZDDF-UHFFFAOYSA-N
XLogP0.72
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyphenyl)acetic acid?
The IUPAC name of 2-(2,5-dihydroxyphenyl)acetic acid (CID 780) is 2-(2,5-dihydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-dihydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2,5-dihydroxyphenyl)acetic acid is O=C(O)Cc1cc(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxyphenyl)acetic acid?
The InChIKey is IGMNYECMUMZDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12).
What are the key properties of 2-(2,5-dihydroxyphenyl)acetic acid?
2-(2,5-dihydroxyphenyl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyphenyl)acetic acid is sourced from PubChem (CID 780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).