2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol

C9H11NO3 — CID 137082808

IUPAC2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(C)=N\O)c(O)c1
InChIInChI=1S/C9H11NO3/c1-6(10-12)8-4-3-7(13-2)5-9(8)11/h3-5,11-12H,1-2H3/b10-6-
InChIKeyGQUJORHZPLENMC-POHAHGRESA-N
MW181.19 g/mol
LogP1.60
Rot. Bonds2

About 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol (PubChem CID 137082808) 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-methoxyphenol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
PubChem CID137082808
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(C)=N\O)c(O)c1
InChIInChI=1S/C9H11NO3/c1-6(10-12)8-4-3-7(13-2)5-9(8)11/h3-5,11-12H,1-2H3/b10-6-
InChIKeyGQUJORHZPLENMC-POHAHGRESA-N
XLogP1.60
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 82001380
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
[3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-methylbenzenesulfonate
CID 135699001
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
CID 135675803
(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899
2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135997272

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol (CID 137082808) is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol is COc1ccc(/C(C)=N\O)c(O)c1.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol?
The InChIKey is GQUJORHZPLENMC-POHAHGRESA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(10-12)8-4-3-7(13-2)5-9(8)11/h3-5,11-12H,1-2H3/b10-6-.
What are the key properties of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol?
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol has a molecular weight of 181.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol is sourced from PubChem (CID 137082808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).