4-(4-propylphenyl)thiophene-2-carbaldehyde

C14H14OS — CID 165486992

IUPAC4-(4-propylphenyl)thiophene-2-carbaldehyde
SMILESCCCc1ccc(-c2csc(C=O)c2)cc1
InChIInChI=1S/C14H14OS/c1-2-3-11-4-6-12(7-5-11)13-8-14(9-15)16-10-13/h4-10H,2-3H2,1H3
InChIKeyMLBJULWCTBVNHK-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.18
Rot. Bonds4

About 4-(4-propylphenyl)thiophene-2-carbaldehyde

4-(4-propylphenyl)thiophene-2-carbaldehyde (PubChem CID 165486992) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-(4-propylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-propylphenyl)thiophene-2-carbaldehyde
PubChem CID165486992
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name4-(4-propylphenyl)thiophene-2-carbaldehyde
SMILESCCCc1ccc(-c2csc(C=O)c2)cc1
InChIInChI=1S/C14H14OS/c1-2-3-11-4-6-12(7-5-11)13-8-14(9-15)16-10-13/h4-10H,2-3H2,1H3
InChIKeyMLBJULWCTBVNHK-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-propylphenyl)thiophene-2-carbaldehyde 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 4-(4-propylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(4-propylphenyl)thiophene-2-carbaldehyde (CID 165486992) is 4-(4-propylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(4-propylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(4-propylphenyl)thiophene-2-carbaldehyde is CCCc1ccc(-c2csc(C=O)c2)cc1.
What is the InChIKey of 4-(4-propylphenyl)thiophene-2-carbaldehyde?
The InChIKey is MLBJULWCTBVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-2-3-11-4-6-12(7-5-11)13-8-14(9-15)16-10-13/h4-10H,2-3H2,1H3.
What are the key properties of 4-(4-propylphenyl)thiophene-2-carbaldehyde?
4-(4-propylphenyl)thiophene-2-carbaldehyde has a molecular weight of 230.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 165486992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).