3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal

C16H15ClOS — CID 170782882

IUPAC3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal
SMILESCc1ccc(SC(C=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-12-2-8-15(9-3-12)19-16(11-18)10-13-4-6-14(17)7-5-13/h2-9,11,16H,10H2,1H3
InChIKeyFYDRBYYFWOXQOJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.55
Rot. Bonds5

About 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal

3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal (PubChem CID 170782882) has the molecular formula C16H15ClOS and a molecular weight of 290.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal
PubChem CID170782882
Molecular FormulaC16H15ClOS
Molecular Weight290.82 g/mol
Exact Mass290.05
IUPAC Name3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal
SMILESCc1ccc(SC(C=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-12-2-8-15(9-3-12)19-16(11-18)10-13-4-6-14(17)7-5-13/h2-9,11,16H,10H2,1H3
InChIKeyFYDRBYYFWOXQOJ-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)sulfanyl-3-(4-nitrophenyl)propanal
CID 170782864
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2S)-2-(4-methylphenyl)sulfanylpropanal
CID 10352285
2-(4-methylphenyl)sulfanylpropanal
CID 10081010
(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylpropanoic acid
CID 133245393
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal (CID 170782882) is 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal is Cc1ccc(SC(C=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal?
The InChIKey is FYDRBYYFWOXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-12-2-8-15(9-3-12)19-16(11-18)10-13-4-6-14(17)7-5-13/h2-9,11,16H,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal?
3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal has a molecular weight of 290.82 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanal is sourced from PubChem (CID 170782882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).