2-[(E)-hydroxyiminomethyl]phenol

C7H7NO2 — CID 135408751

IUPAC2-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1ccccc1O
InChIInChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+
InChIKeyORIHZIZPTZTNCU-VMPITWQZSA-N
MW137.14 g/mol
LogP1.20
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]phenol

2-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135408751) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]phenol
PubChem CID135408751
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1ccccc1O
InChIInChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+
InChIKeyORIHZIZPTZTNCU-VMPITWQZSA-N
XLogP1.20
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]phenol (CID 135408751) is 2-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]phenol is O/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is ORIHZIZPTZTNCU-VMPITWQZSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]phenol?
2-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 137.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135408751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).