2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol

C8H9NO3 — CID 135589061

IUPAC2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
SMILESC/C(=N\O)c1cc(O)ccc1O
InChIInChI=1S/C8H9NO3/c1-5(9-12)7-4-6(10)2-3-8(7)11/h2-4,10-12H,1H3/b9-5+
InChIKeyQIXQBIKGARTNDN-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.30
Rot. Bonds1

About 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol (PubChem CID 135589061) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
PubChem CID135589061
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
SMILESC/C(=N\O)c1cc(O)ccc1O
InChIInChI=1S/C8H9NO3/c1-5(9-12)7-4-6(10)2-3-8(7)11/h2-4,10-12H,1H3/b9-5+
InChIKeyQIXQBIKGARTNDN-WEVVVXLNSA-N
XLogP1.30
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-[(E)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136980380
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
CID 137120822
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-[N-[2-[2-[2-[1-(2,5-dihydroxyphenyl)ethylideneamino]ethoxy]ethoxy]ethyl]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136862719
1-(2,5-dihydroxyphenyl)-3-methylbut-2-en-1-one
CID 86168329
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol (CID 135589061) is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol is C/C(=N\O)c1cc(O)ccc1O.
What is the InChIKey of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol?
The InChIKey is QIXQBIKGARTNDN-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5(9-12)7-4-6(10)2-3-8(7)11/h2-4,10-12H,1H3/b9-5+.
What are the key properties of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol?
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol has a molecular weight of 167.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol is sourced from PubChem (CID 135589061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).