2-oxo-2-phenylacetaldehyde

C8H6O2 — CID 14090

IUPAC2-oxo-2-phenylacetaldehyde
SMILESO=CC(=O)c1ccccc1
InChIInChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
InChIKeyOJUGVDODNPJEEC-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.07
Rot. Bonds2

About 2-oxo-2-phenylacetaldehyde

2-oxo-2-phenylacetaldehyde (PubChem CID 14090) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-oxo-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-oxo-2-phenylacetaldehyde
PubChem CID14090
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name2-oxo-2-phenylacetaldehyde
SMILESO=CC(=O)c1ccccc1
InChIInChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
InChIKeyOJUGVDODNPJEEC-UHFFFAOYSA-N
XLogP1.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-oxo-2-phenylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenylacetaldehyde?
The IUPAC name of 2-oxo-2-phenylacetaldehyde (CID 14090) is 2-oxo-2-phenylacetaldehyde.
What is the SMILES notation for 2-oxo-2-phenylacetaldehyde?
The canonical SMILES for 2-oxo-2-phenylacetaldehyde is O=CC(=O)c1ccccc1.
What is the InChIKey of 2-oxo-2-phenylacetaldehyde?
The InChIKey is OJUGVDODNPJEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-oxo-2-phenylacetaldehyde?
2-oxo-2-phenylacetaldehyde has a molecular weight of 134.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenylacetaldehyde is sourced from PubChem (CID 14090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).