2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde

C12H8O2S — CID 175780722

IUPAC2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
SMILESO=CC(=O)c1cccc(-c2cccs2)c1
InChIInChI=1S/C12H8O2S/c13-8-11(14)9-3-1-4-10(7-9)12-5-2-6-15-12/h1-8H
InChIKeyNPQUNXFKRVUZEU-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.80
Rot. Bonds3

About 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde

2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde (PubChem CID 175780722) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
PubChem CID175780722
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Name2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
SMILESO=CC(=O)c1cccc(-c2cccs2)c1
InChIInChI=1S/C12H8O2S/c13-8-11(14)9-3-1-4-10(7-9)12-5-2-6-15-12/h1-8H
InChIKeyNPQUNXFKRVUZEU-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-thiophen-2-ylbenzoate
CID 162653930
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
N-(4-bromophenyl)-3-thiophen-2-ylbenzamide
CID 4862004
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
4-thiophen-2-ylbenzoyl chloride
CID 158319353
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
[1-(3-thiophen-2-ylphenyl)ethylideneamino] piperidine-1-carboxylate
CID 75033246
2-(3-fluorophenyl)thiophene
CID 22486407
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde?
The IUPAC name of 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde (CID 175780722) is 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde is O=CC(=O)c1cccc(-c2cccs2)c1.
What is the InChIKey of 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde?
The InChIKey is NPQUNXFKRVUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-8-11(14)9-3-1-4-10(7-9)12-5-2-6-15-12/h1-8H.
What are the key properties of 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde?
2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde has a molecular weight of 216.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde is sourced from PubChem (CID 175780722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).