5-ethenyl-2-(hydroxyiminomethyl)phenol

C9H9NO2 — CID 140585700

IUPAC5-ethenyl-2-(hydroxyiminomethyl)phenol
SMILESC=Cc1ccc(C=NO)c(O)c1
InChIInChI=1S/C9H9NO2/c1-2-7-3-4-8(6-10-12)9(11)5-7/h2-6,11-12H,1H2
InChIKeyLMRLGRVNBGKWJJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.84
Rot. Bonds2

About 5-ethenyl-2-(hydroxyiminomethyl)phenol

5-ethenyl-2-(hydroxyiminomethyl)phenol (PubChem CID 140585700) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-ethenyl-2-(hydroxyiminomethyl)phenol.

Molecular Properties

Compound Name5-ethenyl-2-(hydroxyiminomethyl)phenol
PubChem CID140585700
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-ethenyl-2-(hydroxyiminomethyl)phenol
SMILESC=Cc1ccc(C=NO)c(O)c1
InChIInChI=1S/C9H9NO2/c1-2-7-3-4-8(6-10-12)9(11)5-7/h2-6,11-12H,1H2
InChIKeyLMRLGRVNBGKWJJ-UHFFFAOYSA-N
XLogP1.84
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.84
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 5-ethenyl-2-(hydroxyiminomethyl)phenol?
The IUPAC name of 5-ethenyl-2-(hydroxyiminomethyl)phenol (CID 140585700) is 5-ethenyl-2-(hydroxyiminomethyl)phenol.
What is the SMILES notation for 5-ethenyl-2-(hydroxyiminomethyl)phenol?
The canonical SMILES for 5-ethenyl-2-(hydroxyiminomethyl)phenol is C=Cc1ccc(C=NO)c(O)c1.
What is the InChIKey of 5-ethenyl-2-(hydroxyiminomethyl)phenol?
The InChIKey is LMRLGRVNBGKWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-7-3-4-8(6-10-12)9(11)5-7/h2-6,11-12H,1H2.
What are the key properties of 5-ethenyl-2-(hydroxyiminomethyl)phenol?
5-ethenyl-2-(hydroxyiminomethyl)phenol has a molecular weight of 163.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(hydroxyiminomethyl)phenol is sourced from PubChem (CID 140585700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).