2,5-dihydroxybenzene-1,3-dicarbonyl chloride

C8H4Cl2O4 — CID 141264329

IUPAC2,5-dihydroxybenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(O)cc(C(=O)Cl)c1O
InChIInChI=1S/C8H4Cl2O4/c9-7(13)4-1-3(11)2-5(6(4)12)8(10)14/h1-2,11-12H
InChIKeyGEFXNJBDJNTFAG-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.86
Rot. Bonds2

About 2,5-dihydroxybenzene-1,3-dicarbonyl chloride

2,5-dihydroxybenzene-1,3-dicarbonyl chloride (PubChem CID 141264329) has the molecular formula C8H4Cl2O4 and a molecular weight of 235.02 g/mol. Its IUPAC name is 2,5-dihydroxybenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2,5-dihydroxybenzene-1,3-dicarbonyl chloride
PubChem CID141264329
Molecular FormulaC8H4Cl2O4
Molecular Weight235.02 g/mol
Exact Mass233.95
IUPAC Name2,5-dihydroxybenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(O)cc(C(=O)Cl)c1O
InChIInChI=1S/C8H4Cl2O4/c9-7(13)4-1-3(11)2-5(6(4)12)8(10)14/h1-2,11-12H
InChIKeyGEFXNJBDJNTFAG-UHFFFAOYSA-N
XLogP1.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2,5-dihydroxybenzene-1,3-dicarbonyl chloride (CID 141264329) is 2,5-dihydroxybenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2,5-dihydroxybenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2,5-dihydroxybenzene-1,3-dicarbonyl chloride is O=C(Cl)c1cc(O)cc(C(=O)Cl)c1O.
What is the InChIKey of 2,5-dihydroxybenzene-1,3-dicarbonyl chloride?
The InChIKey is GEFXNJBDJNTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O4/c9-7(13)4-1-3(11)2-5(6(4)12)8(10)14/h1-2,11-12H.
What are the key properties of 2,5-dihydroxybenzene-1,3-dicarbonyl chloride?
2,5-dihydroxybenzene-1,3-dicarbonyl chloride has a molecular weight of 235.02 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 141264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).