benzene-1,2,3,4-tetrol

C6H6O4 — CID 588355

IUPACbenzene-1,2,3,4-tetrol
SMILESOc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,7-10H
InChIKeyVERMEZLHWFHDLK-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.51
Rot. Bonds

About benzene-1,2,3,4-tetrol

benzene-1,2,3,4-tetrol (PubChem CID 588355) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is benzene-1,2,3,4-tetrol.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetrol
PubChem CID588355
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Namebenzene-1,2,3,4-tetrol
SMILESOc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,7-10H
InChIKeyVERMEZLHWFHDLK-UHFFFAOYSA-N
XLogP0.51
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Catechol
CID 289
Pyrogallol
CID 1057
Resorcinol
CID 5054
Phloroglucinol
CID 359
1,2,4-Benzenetriol
CID 10787
1,3,5-Benzenetriol, hydrate (1:2)
CID 53233771
Phloroglucinol dihydrate
CID 80196
1,2,3,5-Tetrahydroxybenzene
CID 12
Hexahydroxybenzene
CID 69102
1,2,3-Benzenetriol, potassium salt (1:?)
CID 23688909
1,2,4,5-Benzenetetrol
CID 69464
Npc325333
CID 54110629

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetrol?
The IUPAC name of benzene-1,2,3,4-tetrol (CID 588355) is benzene-1,2,3,4-tetrol.
What is the SMILES notation for benzene-1,2,3,4-tetrol?
The canonical SMILES for benzene-1,2,3,4-tetrol is Oc1ccc(O)c(O)c1O.
What is the InChIKey of benzene-1,2,3,4-tetrol?
The InChIKey is VERMEZLHWFHDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,7-10H.
What are the key properties of benzene-1,2,3,4-tetrol?
benzene-1,2,3,4-tetrol has a molecular weight of 142.11 g/mol, XLogP of 0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetrol is sourced from PubChem (CID 588355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).