2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol

C11H12N2O3 — CID 173349248

IUPAC2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
SMILESON=CC(C=NO)=CCc1ccccc1O
InChIInChI=1S/C11H12N2O3/c14-11-4-2-1-3-10(11)6-5-9(7-12-15)8-13-16/h1-5,7-8,14-16H,6H2
InChIKeyPJGYLQXUBDWGRO-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol

2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol (PubChem CID 173349248) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol.

Molecular Properties

Compound Name2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
PubChem CID173349248
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
SMILESON=CC(C=NO)=CCc1ccccc1O
InChIInChI=1S/C11H12N2O3/c14-11-4-2-1-3-10(11)6-5-9(7-12-15)8-13-16/h1-5,7-8,14-16H,6H2
InChIKeyPJGYLQXUBDWGRO-UHFFFAOYSA-N
XLogP1.78
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol?
The IUPAC name of 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol (CID 173349248) is 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol.
What is the SMILES notation for 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol?
The canonical SMILES for 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol is ON=CC(C=NO)=CCc1ccccc1O.
What is the InChIKey of 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol?
The InChIKey is PJGYLQXUBDWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-4-2-1-3-10(11)6-5-9(7-12-15)8-13-16/h1-5,7-8,14-16H,6H2.
What are the key properties of 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol?
2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol has a molecular weight of 220.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol is sourced from PubChem (CID 173349248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).