benzene-1,2-diol;cyclohexane

C12H18O2 — CID 175415805

IUPACbenzene-1,2-diol;cyclohexane
SMILESC1CCCCC1.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C6H12/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4,7-8H;1-6H2
InChIKeyGHEHERKMOCEDDD-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.44
Rot. Bonds

About benzene-1,2-diol;cyclohexane

benzene-1,2-diol;cyclohexane (PubChem CID 175415805) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is benzene-1,2-diol;cyclohexane.

Molecular Properties

Compound Namebenzene-1,2-diol;cyclohexane
PubChem CID175415805
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namebenzene-1,2-diol;cyclohexane
SMILESC1CCCCC1.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C6H12/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4,7-8H;1-6H2
InChIKeyGHEHERKMOCEDDD-UHFFFAOYSA-N
XLogP3.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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benzene-1,2-diol;hydrogen peroxide
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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
cyclohexane;2-methylphenol
CID 70504255
CID 6393025
CID 6393025
benzene-1,2-diol;methanamine
CID 159187656
CID 175605209
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benzene-1,2-diol;benzene-1,4-diol
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;cyclohexane?
The IUPAC name of benzene-1,2-diol;cyclohexane (CID 175415805) is benzene-1,2-diol;cyclohexane.
What is the SMILES notation for benzene-1,2-diol;cyclohexane?
The canonical SMILES for benzene-1,2-diol;cyclohexane is C1CCCCC1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;cyclohexane?
The InChIKey is GHEHERKMOCEDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C6H12/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4,7-8H;1-6H2.
What are the key properties of benzene-1,2-diol;cyclohexane?
benzene-1,2-diol;cyclohexane has a molecular weight of 194.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;cyclohexane is sourced from PubChem (CID 175415805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).