2-(4-thiophen-2-ylphenyl)acetaldehyde

C12H10OS — CID 87498538

IUPAC2-(4-thiophen-2-ylphenyl)acetaldehyde
SMILESO=CCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H10OS/c13-8-7-10-3-5-11(6-4-10)12-2-1-9-14-12/h1-6,8-9H,7H2
InChIKeyNSIQGWLCYGDUJM-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-thiophen-2-ylphenyl)acetaldehyde

2-(4-thiophen-2-ylphenyl)acetaldehyde (PubChem CID 87498538) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-thiophen-2-ylphenyl)acetaldehyde
PubChem CID87498538
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name2-(4-thiophen-2-ylphenyl)acetaldehyde
SMILESO=CCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H10OS/c13-8-7-10-3-5-11(6-4-10)12-2-1-9-14-12/h1-6,8-9H,7H2
InChIKeyNSIQGWLCYGDUJM-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
2-[4-(4-but-3-enylphenyl)phenyl]thiophene
CID 142376993
(Z)-4-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pent-2-enoic acid
CID 82544156
1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde
CID 102489369
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
2-[4-(4-ethenylphenyl)phenyl]thiophene
CID 139982271
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
2-(4-nitrophenyl)thiophene
CID 609512
4-thiophen-2-ylbenzoyl chloride
CID 158319353
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
2-hydroxy-5-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 102462555

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylphenyl)acetaldehyde?
The IUPAC name of 2-(4-thiophen-2-ylphenyl)acetaldehyde (CID 87498538) is 2-(4-thiophen-2-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-thiophen-2-ylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-thiophen-2-ylphenyl)acetaldehyde is O=CCc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-thiophen-2-ylphenyl)acetaldehyde?
The InChIKey is NSIQGWLCYGDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-8-7-10-3-5-11(6-4-10)12-2-1-9-14-12/h1-6,8-9H,7H2.
What are the key properties of 2-(4-thiophen-2-ylphenyl)acetaldehyde?
2-(4-thiophen-2-ylphenyl)acetaldehyde has a molecular weight of 202.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylphenyl)acetaldehyde is sourced from PubChem (CID 87498538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).