benzene-1,2-diol;ethanol;hydroxylamine

C8H15NO4 — CID 70173315

IUPACbenzene-1,2-diol;ethanol;hydroxylamine
SMILESCCO.NO.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H6O.H3NO/c7-5-3-1-2-4-6(5)8;1-2-3;1-2/h1-4,7-8H;3H,2H2,1H3;2H,1H2
InChIKeyOABOPUOHIUCSID-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.43
Rot. Bonds

About benzene-1,2-diol;ethanol;hydroxylamine

benzene-1,2-diol;ethanol;hydroxylamine (PubChem CID 70173315) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is benzene-1,2-diol;ethanol;hydroxylamine.

Molecular Properties

Compound Namebenzene-1,2-diol;ethanol;hydroxylamine
PubChem CID70173315
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namebenzene-1,2-diol;ethanol;hydroxylamine
SMILESCCO.NO.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H6O.H3NO/c7-5-3-1-2-4-6(5)8;1-2-3;1-2/h1-4,7-8H;3H,2H2,1H3;2H,1H2
InChIKeyOABOPUOHIUCSID-UHFFFAOYSA-N
XLogP0.43
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.43
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;ethanol;hydroxylamine?
The IUPAC name of benzene-1,2-diol;ethanol;hydroxylamine (CID 70173315) is benzene-1,2-diol;ethanol;hydroxylamine.
What is the SMILES notation for benzene-1,2-diol;ethanol;hydroxylamine?
The canonical SMILES for benzene-1,2-diol;ethanol;hydroxylamine is CCO.NO.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;ethanol;hydroxylamine?
The InChIKey is OABOPUOHIUCSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H6O.H3NO/c7-5-3-1-2-4-6(5)8;1-2-3;1-2/h1-4,7-8H;3H,2H2,1H3;2H,1H2.
What are the key properties of benzene-1,2-diol;ethanol;hydroxylamine?
benzene-1,2-diol;ethanol;hydroxylamine has a molecular weight of 189.21 g/mol, XLogP of 0.43, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;ethanol;hydroxylamine is sourced from PubChem (CID 70173315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).