benzene-1,2,3,4-tetrol;methanol

C7H10O5 — CID 174976921

IUPACbenzene-1,2,3,4-tetrol;methanol
SMILESCO.Oc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h1-2,7-10H;2H,1H3
InChIKeyLHRGOLGXCQHJCH-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.12
Rot. Bonds

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

benzene-1,2,3,4-tetrol;methanol (PubChem CID 174976921) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is benzene-1,2,3,4-tetrol;methanol.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetrol;methanol
PubChem CID174976921
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namebenzene-1,2,3,4-tetrol;methanol
SMILESCO.Oc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h1-2,7-10H;2H,1H3
InChIKeyLHRGOLGXCQHJCH-UHFFFAOYSA-N
XLogP0.12
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

Pyrogallol
CID 1057
1,2,4-Benzenetriol
CID 10787
2,6-Dimethoxyhydroquinone
CID 96038
2-Methoxybenzene-1,4-diol
CID 69988
1,2,3,5-Tetrahydroxybenzene
CID 12
Hexahydroxybenzene
CID 69102
Iretol
CID 4303263
1,2,3-Benzenetriol, potassium salt (1:?)
CID 23688909
1,2,4,5-Benzenetetrol
CID 69464
2,4-Dimethoxyphenol
CID 593006
2,5-Dimethoxybenzene-1,4-diol
CID 97641
4-Methoxyresorcinol
CID 3083936

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetrol;methanol?
The IUPAC name of benzene-1,2,3,4-tetrol;methanol (CID 174976921) is benzene-1,2,3,4-tetrol;methanol.
What is the SMILES notation for benzene-1,2,3,4-tetrol;methanol?
The canonical SMILES for benzene-1,2,3,4-tetrol;methanol is CO.Oc1ccc(O)c(O)c1O.
What is the InChIKey of benzene-1,2,3,4-tetrol;methanol?
The InChIKey is LHRGOLGXCQHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h1-2,7-10H;2H,1H3.
What are the key properties of benzene-1,2,3,4-tetrol;methanol?
benzene-1,2,3,4-tetrol;methanol has a molecular weight of 174.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetrol;methanol is sourced from PubChem (CID 174976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).