4-ethanehydrazonoylbenzene-1,3-diol

C8H10N2O2 — CID 137035163

IUPAC4-ethanehydrazonoylbenzene-1,3-diol
SMILESC/C(=N\N)c1ccc(O)cc1O
InChIInChI=1S/C8H10N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-4,11-12H,9H2,1H3/b10-5+
InChIKeyQQJRYEVBPRGNHV-BJMVGYQFSA-N
MW166.18 g/mol
LogP0.78
Rot. Bonds1

About 4-ethanehydrazonoylbenzene-1,3-diol

4-ethanehydrazonoylbenzene-1,3-diol (PubChem CID 137035163) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-ethanehydrazonoylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethanehydrazonoylbenzene-1,3-diol
PubChem CID137035163
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-ethanehydrazonoylbenzene-1,3-diol
SMILESC/C(=N\N)c1ccc(O)cc1O
InChIInChI=1S/C8H10N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-4,11-12H,9H2,1H3/b10-5+
InChIKeyQQJRYEVBPRGNHV-BJMVGYQFSA-N
XLogP0.78
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Butylresorcinol
CID 205912
4-Ethylresorcinol
CID 17927
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
2-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]guanidine
CID 135412665
[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]thiourea
CID 136152905
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493
4'-Hydroxyacetophenone Oxime
CID 96522
2-{(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl}-2-oxoacetamide
CID 135510253
2-[(1E)-1-{(2Z)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}ethyl]phenol
CID 135650519
4-[(E)-N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135676253
1-(4-Hydroxyphenyl)-1-propanone [1-(4-hydroxyphenyl)propylidene]hydrazone
CID 135458693
1-(2-Hydroxyphenyl)ethan-1-one oxime
CID 135410018

Frequently Asked Questions

What is the IUPAC name of 4-ethanehydrazonoylbenzene-1,3-diol?
The IUPAC name of 4-ethanehydrazonoylbenzene-1,3-diol (CID 137035163) is 4-ethanehydrazonoylbenzene-1,3-diol.
What is the SMILES notation for 4-ethanehydrazonoylbenzene-1,3-diol?
The canonical SMILES for 4-ethanehydrazonoylbenzene-1,3-diol is C/C(=N\N)c1ccc(O)cc1O.
What is the InChIKey of 4-ethanehydrazonoylbenzene-1,3-diol?
The InChIKey is QQJRYEVBPRGNHV-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-4,11-12H,9H2,1H3/b10-5+.
What are the key properties of 4-ethanehydrazonoylbenzene-1,3-diol?
4-ethanehydrazonoylbenzene-1,3-diol has a molecular weight of 166.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanehydrazonoylbenzene-1,3-diol is sourced from PubChem (CID 137035163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).