benzene-1,2,3,4-tetrol;benzene-1,3,5-triol

C12H12O7 — CID 174397816

IUPACbenzene-1,2,3,4-tetrol;benzene-1,3,5-triol
SMILESOc1cc(O)cc(O)c1.Oc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4.C6H6O3/c7-3-1-2-4(8)6(10)5(3)9;7-4-1-5(8)3-6(9)2-4/h1-2,7-10H;1-3,7-9H
InChIKeyBLPALOGJFDWDDE-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.31
Rot. Bonds

About benzene-1,2,3,4-tetrol;benzene-1,3,5-triol

benzene-1,2,3,4-tetrol;benzene-1,3,5-triol (PubChem CID 174397816) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is benzene-1,2,3,4-tetrol;benzene-1,3,5-triol.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetrol;benzene-1,3,5-triol
PubChem CID174397816
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Namebenzene-1,2,3,4-tetrol;benzene-1,3,5-triol
SMILESOc1cc(O)cc(O)c1.Oc1ccc(O)c(O)c1O
InChIInChI=1S/C6H6O4.C6H6O3/c7-3-1-2-4(8)6(10)5(3)9;7-4-1-5(8)3-6(9)2-4/h1-2,7-10H;1-3,7-9H
InChIKeyBLPALOGJFDWDDE-UHFFFAOYSA-N
XLogP1.31
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.22
LogP ≤ 51.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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'}

Analyze benzene-1,2,3,4-tetrol;benzene-1,3,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2,3,4-tetrol;methanol
CID 174976921
benzene-1,3,5-triol
CID 359
4-[(2,4,6-trihydroxyphenyl)methyl]benzene-1,2,3-triol
CID 20820811
CID 70471879
CID 70471879
benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
CID 160586828
4-(2-fluoro-4-hydroxyphenyl)benzene-1,2,3-triol
CID 175418181
4-(2,3,4-trihydroxyphenyl)sulfanylbenzene-1,2,3-triol
CID 22257584
benzene-1,2,3-triol
CID 87074018
4-(2,3,6-trihydroxyphenyl)benzene-1,2,3-triol
CID 141142234
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
4-[(3-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139940610
5-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]-2-hydroxyphenyl]ethyl]benzene-1,2,3-triol
CID 175639749

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetrol;benzene-1,3,5-triol?
The IUPAC name of benzene-1,2,3,4-tetrol;benzene-1,3,5-triol (CID 174397816) is benzene-1,2,3,4-tetrol;benzene-1,3,5-triol.
What is the SMILES notation for benzene-1,2,3,4-tetrol;benzene-1,3,5-triol?
The canonical SMILES for benzene-1,2,3,4-tetrol;benzene-1,3,5-triol is Oc1cc(O)cc(O)c1.Oc1ccc(O)c(O)c1O.
What is the InChIKey of benzene-1,2,3,4-tetrol;benzene-1,3,5-triol?
The InChIKey is BLPALOGJFDWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.C6H6O3/c7-3-1-2-4(8)6(10)5(3)9;7-4-1-5(8)3-6(9)2-4/h1-2,7-10H;1-3,7-9H.
What are the key properties of benzene-1,2,3,4-tetrol;benzene-1,3,5-triol?
benzene-1,2,3,4-tetrol;benzene-1,3,5-triol has a molecular weight of 268.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetrol;benzene-1,3,5-triol is sourced from PubChem (CID 174397816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).