1-(2,5-dihydroxyphenyl)ethanone

C8H8O3 — CID 10279

IUPAC1-(2,5-dihydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)ccc1O
InChIInChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKeyWLDWSGZHNBANIO-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.30
Rot. Bonds1

About 1-(2,5-dihydroxyphenyl)ethanone

1-(2,5-dihydroxyphenyl)ethanone (PubChem CID 10279) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-(2,5-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dihydroxyphenyl)ethanone
PubChem CID10279
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name1-(2,5-dihydroxyphenyl)ethanone
SMILESCC(=O)c1cc(O)ccc1O
InChIInChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKeyWLDWSGZHNBANIO-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 1-(2,5-dihydroxyphenyl)ethanone?
The IUPAC name of 1-(2,5-dihydroxyphenyl)ethanone (CID 10279) is 1-(2,5-dihydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dihydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-dihydroxyphenyl)ethanone is CC(=O)c1cc(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxyphenyl)ethanone?
The InChIKey is WLDWSGZHNBANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3.
What are the key properties of 1-(2,5-dihydroxyphenyl)ethanone?
1-(2,5-dihydroxyphenyl)ethanone has a molecular weight of 152.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxyphenyl)ethanone is sourced from PubChem (CID 10279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).