(2-hydroxy-4-methylphenyl)-oxoazanium

C7H8NO2+ — CID 58436141

IUPAC(2-hydroxy-4-methylphenyl)-oxoazanium
SMILESCc1ccc([NH+]=O)c(O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3/p+1
InChIKeyXMICCBGKFBVTSQ-UHFFFAOYSA-O
MW138.15 g/mol
LogP0.18
Rot. Bonds1

About (2-hydroxy-4-methylphenyl)-oxoazanium

(2-hydroxy-4-methylphenyl)-oxoazanium (PubChem CID 58436141) has the molecular formula C7H8NO2+ and a molecular weight of 138.15 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-oxoazanium.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-oxoazanium
PubChem CID58436141
Molecular FormulaC7H8NO2+
Molecular Weight138.15 g/mol
Exact Mass138.05
IUPAC Name(2-hydroxy-4-methylphenyl)-oxoazanium
SMILESCc1ccc([NH+]=O)c(O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3/p+1
InChIKeyXMICCBGKFBVTSQ-UHFFFAOYSA-O
XLogP0.18
TPSA51.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,5-dimethylphenol;samarium
CID 87732062
2,5-dimethylphenol;ethane
CID 143419778
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
ethane;2-ethyl-5-methylphenol
CID 142001660
(2-hydroxy-4-methylphenyl)mercury(1+)
CID 86278218
(2-hydroxy-4-methylphenyl)azanium
CID 147753183
(2-hydroxy-4-methylphenyl) hydrogen sulfate
CID 54104170
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2,4-dimethylphenol
CID 67713801
5-methyl-2-(triazin-4-yl)phenol
CID 174861376
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-oxoazanium?
The IUPAC name of (2-hydroxy-4-methylphenyl)-oxoazanium (CID 58436141) is (2-hydroxy-4-methylphenyl)-oxoazanium.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-oxoazanium?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-oxoazanium is Cc1ccc([NH+]=O)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-oxoazanium?
The InChIKey is XMICCBGKFBVTSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7NO2/c1-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3/p+1.
What are the key properties of (2-hydroxy-4-methylphenyl)-oxoazanium?
(2-hydroxy-4-methylphenyl)-oxoazanium has a molecular weight of 138.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-oxoazanium is sourced from PubChem (CID 58436141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).