benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid

C12H12O8S — CID 70560755

IUPACbenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid
SMILESO=C1C=CC(=O)C=C1.O=S(=O)(O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C6H4O2.H2O4S/c2*7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4,7-8H;1-4H;(H2,1,2,3,4)
InChIKeyHZCFDHVONJVFQZ-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.70
Rot. Bonds

About benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid

benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid (PubChem CID 70560755) has the molecular formula C12H12O8S and a molecular weight of 316.29 g/mol. Its IUPAC name is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid.

Molecular Properties

Compound Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid
PubChem CID70560755
Molecular FormulaC12H12O8S
Molecular Weight316.29 g/mol
Exact Mass316.03
IUPAC Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid
SMILESO=C1C=CC(=O)C=C1.O=S(=O)(O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C6H4O2.H2O4S/c2*7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4,7-8H;1-4H;(H2,1,2,3,4)
InChIKeyHZCFDHVONJVFQZ-UHFFFAOYSA-N
XLogP0.70
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Quinhydrone
CID 7801
1,4-Benzenediol, 1-(hydrogen sulfate)
CID 161220
Potassium p-hydroxyphenyl sulphate
CID 23679873
Quinol sulfate(1-)
CID 14767563
Hydroquinone acetone
CID 70503391
Einecs 217-243-5
CID 6451318
(2-Fluoro-4-hydroxyphenyl) hydrogen sulfate
CID 13578006
(3-Fluoro-4-hydroxyphenyl) hydrogen sulfate
CID 20039244
1,4-Benzenediol, dimethanesulfonate
CID 71340413
1-Fluorosulfonyloxy-4-hydroxybenzene
CID 126612484
Benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)
CID 139179614
Ammonium 4-hydroxyphenyl sulfate
CID 169409338

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid?
The IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid (CID 70560755) is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid.
What is the SMILES notation for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid?
The canonical SMILES for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid is O=C1C=CC(=O)C=C1.O=S(=O)(O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid?
The InChIKey is HZCFDHVONJVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C6H4O2.H2O4S/c2*7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4,7-8H;1-4H;(H2,1,2,3,4).
What are the key properties of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid?
benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid has a molecular weight of 316.29 g/mol, XLogP of 0.70, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid is sourced from PubChem (CID 70560755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).