(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium

C7H8N2O3 — CID 135757115

IUPAC(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium
SMILES[O-]/[N+](Cc1ccc(O)cc1)=N\O
InChIInChI=1S/C7H8N2O3/c10-7-3-1-6(2-4-7)5-9(12)8-11/h1-4,10-11H,5H2/b9-8-
InChIKeyHFCWGFDZNSZOLS-HJWRWDBZSA-N
MW168.15 g/mol
LogP1.24
Rot. Bonds2

About (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium

(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium (PubChem CID 135757115) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium
PubChem CID135757115
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium
SMILES[O-]/[N+](Cc1ccc(O)cc1)=N\O
InChIInChI=1S/C7H8N2O3/c10-7-3-1-6(2-4-7)5-9(12)8-11/h1-4,10-11H,5H2/b9-8-
InChIKeyHFCWGFDZNSZOLS-HJWRWDBZSA-N
XLogP1.24
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

hydroxyimino-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]-oxidoazanium
CID 136511094
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
potassium (4-hydroxyphenyl)methanolate
CID 143043545
4-(2-hydroxyiminopropyl)phenol
CID 572036
4-(nitrosomethyl)phenol
CID 54346225
4-(phosphanylmethyl)phenol
CID 58879736
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-(iodomethyl)phenol
CID 11241787
2-[(4-hydroxyphenyl)methyl]-1-oxidopyridin-1-ium-3-ol
CID 1425163
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488

Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium?
The IUPAC name of (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium (CID 135757115) is (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium.
What is the SMILES notation for (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium?
The canonical SMILES for (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium is [O-]/[N+](Cc1ccc(O)cc1)=N\O.
What is the InChIKey of (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium?
The InChIKey is HFCWGFDZNSZOLS-HJWRWDBZSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7-3-1-6(2-4-7)5-9(12)8-11/h1-4,10-11H,5H2/b9-8-.
What are the key properties of (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium?
(Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium has a molecular weight of 168.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-[(4-hydroxyphenyl)methyl]-oxidoazanium is sourced from PubChem (CID 135757115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).