2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C8H9NO2 — CID 135410018

IUPAC2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-5,10-11H,1H3/b9-6+
InChIKeyJZXBPZWZZOXDFB-RMKNXTFCSA-N
MW151.16 g/mol
LogP1.59
Rot. Bonds1

About 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135410018) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135410018
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-5,10-11H,1H3/b9-6+
InChIKeyJZXBPZWZZOXDFB-RMKNXTFCSA-N
XLogP1.59
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]boronic acid
CID 119085473
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 137052044
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135410018) is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is JZXBPZWZZOXDFB-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-5,10-11H,1H3/b9-6+.
What are the key properties of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 151.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135410018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).