benzene-1,4-diol;benzoic acid

C13H12O4 — CID 67019242

IUPACbenzene-1,4-diol;benzoic acid
SMILESO=C(O)c1ccccc1.Oc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C6H6O2/c8-7(9)6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5/h1-5H,(H,8,9);1-4,7-8H
InChIKeyIGWLHPLQBMPWMO-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.48
Rot. Bonds1

About benzene-1,4-diol;benzoic acid

benzene-1,4-diol;benzoic acid (PubChem CID 67019242) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is benzene-1,4-diol;benzoic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;benzoic acid
PubChem CID67019242
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Namebenzene-1,4-diol;benzoic acid
SMILESO=C(O)c1ccccc1.Oc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C6H6O2/c8-7(9)6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5/h1-5H,(H,8,9);1-4,7-8H
InChIKeyIGWLHPLQBMPWMO-UHFFFAOYSA-N
XLogP2.48
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy(11C)benzoic acid
CID 11275035
benzene-1,3,5-triol;benzoic acid
CID 71381756
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
benzoic acid;zirconium
CID 173089080
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;λ2-plumbane
CID 174927932

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;benzoic acid?
The IUPAC name of benzene-1,4-diol;benzoic acid (CID 67019242) is benzene-1,4-diol;benzoic acid.
What is the SMILES notation for benzene-1,4-diol;benzoic acid?
The canonical SMILES for benzene-1,4-diol;benzoic acid is O=C(O)c1ccccc1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;benzoic acid?
The InChIKey is IGWLHPLQBMPWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H6O2/c8-7(9)6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5/h1-5H,(H,8,9);1-4,7-8H.
What are the key properties of benzene-1,4-diol;benzoic acid?
benzene-1,4-diol;benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;benzoic acid is sourced from PubChem (CID 67019242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).