4-(4-ethylsulfanylphenyl)benzaldehyde

C15H14OS — CID 1392870

IUPAC4-(4-ethylsulfanylphenyl)benzaldehyde
SMILESCCSc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H14OS/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-11H,2H2,1H3
InChIKeyGLPSOLOCQWJZIF-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.28
Rot. Bonds4

About 4-(4-ethylsulfanylphenyl)benzaldehyde

4-(4-ethylsulfanylphenyl)benzaldehyde (PubChem CID 1392870) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)benzaldehyde
PubChem CID1392870
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name4-(4-ethylsulfanylphenyl)benzaldehyde
SMILESCCSc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H14OS/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-11H,2H2,1H3
InChIKeyGLPSOLOCQWJZIF-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-ethylsulfanylphenyl)benzaldehyde 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-ethylsulfanylphenyl)benzaldehyde?
The IUPAC name of 4-(4-ethylsulfanylphenyl)benzaldehyde (CID 1392870) is 4-(4-ethylsulfanylphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)benzaldehyde?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)benzaldehyde is CCSc1ccc(-c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)benzaldehyde?
The InChIKey is GLPSOLOCQWJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-11H,2H2,1H3.
What are the key properties of 4-(4-ethylsulfanylphenyl)benzaldehyde?
4-(4-ethylsulfanylphenyl)benzaldehyde has a molecular weight of 242.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)benzaldehyde is sourced from PubChem (CID 1392870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).