2-[(E)-hydroxyiminomethyl]-6-methylphenol

C8H9NO2 — CID 135758985

IUPAC2-[(E)-hydroxyiminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/O)c1O
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(5-9-11)8(6)10/h2-5,10-11H,1H3/b9-5+
InChIKeyZWJHFFKODHFICU-WEVVVXLNSA-N
MW151.16 g/mol
LogP1.51
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]-6-methylphenol

2-[(E)-hydroxyiminomethyl]-6-methylphenol (PubChem CID 135758985) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-6-methylphenol
PubChem CID135758985
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-[(E)-hydroxyiminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/O)c1O
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(5-9-11)8(6)10/h2-5,10-11H,1H3/b9-5+
InChIKeyZWJHFFKODHFICU-WEVVVXLNSA-N
XLogP1.51
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 ≤ 51.51
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

N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Salicylaldoxime
CID 135408751
4-Hydroxybenzaldehyde oxime
CID 135408704
2,4-Dihydroxybenzaldehyde oxime
CID 135408746
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
Salicylaldazine
CID 135400567
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime
CID 135472366
Salicylaldehyde hydrazone
CID 135484217
Salicylaldehyde oxime
CID 7200
5-Nonylsalicylaldoxime
CID 135478032

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-methylphenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-methylphenol (CID 135758985) is 2-[(E)-hydroxyiminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-6-methylphenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-6-methylphenol is Cc1cccc(/C=N/O)c1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-6-methylphenol?
The InChIKey is ZWJHFFKODHFICU-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-2-4-7(5-9-11)8(6)10/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-6-methylphenol?
2-[(E)-hydroxyiminomethyl]-6-methylphenol has a molecular weight of 151.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-6-methylphenol is sourced from PubChem (CID 135758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).