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

C8H9NO3 — CID 135460299

IUPAC2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/O)c1O
InChIInChI=1S/C8H9NO3/c1-12-7-4-2-3-6(5-9-11)8(7)10/h2-5,10-11H,1H3/b9-5+
InChIKeyGJDGYWVSQUBDDP-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.21
Rot. Bonds2

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

2-[(E)-hydroxyiminomethyl]-6-methoxyphenol (PubChem CID 135460299) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
PubChem CID135460299
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/O)c1O
InChIInChI=1S/C8H9NO3/c1-12-7-4-2-3-6(5-9-11)8(7)10/h2-5,10-11H,1H3/b9-5+
InChIKeyGJDGYWVSQUBDDP-WEVVVXLNSA-N
XLogP1.21
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.21
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-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534546
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
3-[(E)-2-[(E)-[2,3-dihydroxy-4-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenyl]methylideneamino]oxyethoxyiminomethyl]-6-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 177489215
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol (CID 135460299) is 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol is COc1cccc(/C=N/O)c1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol?
The InChIKey is GJDGYWVSQUBDDP-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-7-4-2-3-6(5-9-11)8(7)10/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol?
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol has a molecular weight of 167.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).