benzene-1,2-diol;benzene-1,4-diol

C12H12O4 — CID 22646089

IUPACbenzene-1,2-diol;benzene-1,4-diol
SMILESOc1ccc(O)cc1.Oc1ccccc1O
InChIInChI=1S/2C6H6O2/c7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h2*1-4,7-8H
InChIKeyFSHXODRICVTBJO-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.20
Rot. Bonds

About benzene-1,2-diol;benzene-1,4-diol

benzene-1,2-diol;benzene-1,4-diol (PubChem CID 22646089) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is benzene-1,2-diol;benzene-1,4-diol.

Molecular Properties

Compound Namebenzene-1,2-diol;benzene-1,4-diol
PubChem CID22646089
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namebenzene-1,2-diol;benzene-1,4-diol
SMILESOc1ccc(O)cc1.Oc1ccccc1O
InChIInChI=1S/2C6H6O2/c7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h2*1-4,7-8H
InChIKeyFSHXODRICVTBJO-UHFFFAOYSA-N
XLogP2.20
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.20
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

CID 6393025
CID 6393025
benzene-1,2-diol;zinc
CID 70580296
benzene-1,2-diol;ruthenium
CID 175866633
benzene-1,2-diol;vanadium(2+)
CID 159711752
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
bis(benzene-1,2-diol);methane
CID 158804248
benzene-1,2-diol;carbanide;zirconium(2+)
CID 20654665
benzene-1,2-diol;4-methoxyphenol
CID 70292826
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;benzene-1,4-diol?
The IUPAC name of benzene-1,2-diol;benzene-1,4-diol (CID 22646089) is benzene-1,2-diol;benzene-1,4-diol.
What is the SMILES notation for benzene-1,2-diol;benzene-1,4-diol?
The canonical SMILES for benzene-1,2-diol;benzene-1,4-diol is Oc1ccc(O)cc1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;benzene-1,4-diol?
The InChIKey is FSHXODRICVTBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2/c7-5-1-2-6(8)4-3-5;7-5-3-1-2-4-6(5)8/h2*1-4,7-8H.
What are the key properties of benzene-1,2-diol;benzene-1,4-diol?
benzene-1,2-diol;benzene-1,4-diol has a molecular weight of 220.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;benzene-1,4-diol is sourced from PubChem (CID 22646089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).