2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde

C10H11NO2 — CID 140967337

IUPAC2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(CC=NO)cc1
InChIInChI=1S/C10H11NO2/c12-8-6-10-3-1-9(2-4-10)5-7-11-13/h1-4,7-8,13H,5-6H2
InChIKeyDVYAOTFJOGUHCR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.43
Rot. Bonds4

About 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde

2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde (PubChem CID 140967337) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde
PubChem CID140967337
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(CC=NO)cc1
InChIInChI=1S/C10H11NO2/c12-8-6-10-3-1-9(2-4-10)5-7-11-13/h1-4,7-8,13H,5-6H2
InChIKeyDVYAOTFJOGUHCR-UHFFFAOYSA-N
XLogP1.43
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine
CID 173128158
N-(2-thiophen-3-ylethylidene)hydroxylamine
CID 87549626
2-(2-hydroxyiminoethyl)anthracene-9,10-dione
CID 3778978
2-(4-hydroxysulfanylphenyl)acetaldehyde
CID 145196892
methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate
CID 88921357
2-[4-(2-aminoethyl)phenyl]acetaldehyde
CID 54152839
2-[4-(2-bromoethyl)phenyl]acetaldehyde
CID 87845001
[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine
CID 173145448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde (CID 140967337) is 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde is O=CCc1ccc(CC=NO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde?
The InChIKey is DVYAOTFJOGUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-8-6-10-3-1-9(2-4-10)5-7-11-13/h1-4,7-8,13H,5-6H2.
What are the key properties of 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde?
2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde is sourced from PubChem (CID 140967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).