1-(4-ethylphenyl)-2-hydroxyiminoethanone

C10H11NO2 — CID 140529170

IUPAC1-(4-ethylphenyl)-2-hydroxyiminoethanone
SMILESCCc1ccc(C(=O)C=NO)cc1
InChIInChI=1S/C10H11NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11-13/h3-7,13H,2H2,1H3
InChIKeyGWIAIYBCZIJUQG-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-ethylphenyl)-2-hydroxyiminoethanone

1-(4-ethylphenyl)-2-hydroxyiminoethanone (PubChem CID 140529170) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-hydroxyiminoethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-hydroxyiminoethanone
PubChem CID140529170
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(4-ethylphenyl)-2-hydroxyiminoethanone
SMILESCCc1ccc(C(=O)C=NO)cc1
InChIInChI=1S/C10H11NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11-13/h3-7,13H,2H2,1H3
InChIKeyGWIAIYBCZIJUQG-UHFFFAOYSA-N
XLogP1.89
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
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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Related Compounds

1-(4-ethylphenyl)buta-2,3-dien-1-one
CID 102501593
(Z)-1-(4-ethylphenyl)-3-[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 92858259
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
4-ethylbenzoyl iodide
CID 89147367
formaldehyde;2-hydroxyimino-1-phenylethanone
CID 174600728
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
potassium 4-ethylbenzoate
CID 23708087
barium(2+);bis(4-ethylbenzoate)
CID 101299929
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
4-ethylbenzoic acid;formaldehyde
CID 155718391
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-hydroxyiminoethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-hydroxyiminoethanone (CID 140529170) is 1-(4-ethylphenyl)-2-hydroxyiminoethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-hydroxyiminoethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-hydroxyiminoethanone is CCc1ccc(C(=O)C=NO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-hydroxyiminoethanone?
The InChIKey is GWIAIYBCZIJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11-13/h3-7,13H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-hydroxyiminoethanone?
1-(4-ethylphenyl)-2-hydroxyiminoethanone has a molecular weight of 177.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-hydroxyiminoethanone is sourced from PubChem (CID 140529170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).