2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol

C9H11NO3 — CID 137239064

IUPAC2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol
SMILESC/C(=N/O)c1c(O)cc(C)cc1O
InChIInChI=1S/C9H11NO3/c1-5-3-7(11)9(6(2)10-13)8(12)4-5/h3-4,11-13H,1-2H3/b10-6-
InChIKeyZIUGIKUTEYCNHW-POHAHGRESA-N
MW181.19 g/mol
LogP1.60
Rot. Bonds1

About 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol (PubChem CID 137239064) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol
PubChem CID137239064
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol
SMILESC/C(=N/O)c1c(O)cc(C)cc1O
InChIInChI=1S/C9H11NO3/c1-5-3-7(11)9(6(2)10-13)8(12)4-5/h3-4,11-13H,1-2H3/b10-6-
InChIKeyZIUGIKUTEYCNHW-POHAHGRESA-N
XLogP1.60
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol
CID 137263734
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-(C,N-dimethylcarbonimidoyl)-3-methoxy-5-methylphenol
CID 135979265
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
CID 137262701
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
4-hydroxy-3-[(Z)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-C-methylcarbonimidoyl]-6-methylpyran-2-one
CID 136756908
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol
CID 137199495
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol (CID 137239064) is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol is C/C(=N/O)c1c(O)cc(C)cc1O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol?
The InChIKey is ZIUGIKUTEYCNHW-POHAHGRESA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-3-7(11)9(6(2)10-13)8(12)4-5/h3-4,11-13H,1-2H3/b10-6-.
What are the key properties of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol?
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol has a molecular weight of 181.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol is sourced from PubChem (CID 137239064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).