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

C8H9NO3 — CID 135431232

IUPAC4-[(E)-hydroxyiminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/O)ccc1O
InChIInChI=1S/C8H9NO3/c1-12-8-4-6(5-9-11)2-3-7(8)10/h2-5,10-11H,1H3/b9-5+
InChIKeyRJJVVYVLHWMYAA-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.21
Rot. Bonds2

About 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol

4-[(E)-hydroxyiminomethyl]-2-methoxyphenol (PubChem CID 135431232) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-2-methoxyphenol
PubChem CID135431232
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-[(E)-hydroxyiminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/O)ccc1O
InChIInChI=1S/C8H9NO3/c1-12-8-4-6(5-9-11)2-3-7(8)10/h2-5,10-11H,1H3/b9-5+
InChIKeyRJJVVYVLHWMYAA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol (CID 135431232) is 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol is COc1cc(/C=N/O)ccc1O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol?
The InChIKey is RJJVVYVLHWMYAA-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8-4-6(5-9-11)2-3-7(8)10/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol?
4-[(E)-hydroxyiminomethyl]-2-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 4-[(E)-hydroxyiminomethyl]-2-methoxyphenol is sourced from PubChem (CID 135431232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).