2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one

C22H16O2S — CID 141456232

IUPAC2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2Sc2ccccc2)cc1
InChIInChI=1S/C22H16O2S/c1-15-11-13-16(14-12-15)21-22(25-17-7-3-2-4-8-17)20(23)18-9-5-6-10-19(18)24-21/h2-14H,1H3
InChIKeyOELLZNOAHYQBMR-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.92
Rot. Bonds3

About 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one

2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one (PubChem CID 141456232) has the molecular formula C22H16O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one
PubChem CID141456232
Molecular FormulaC22H16O2S
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Name2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2Sc2ccccc2)cc1
InChIInChI=1S/C22H16O2S/c1-15-11-13-16(14-12-15)21-22(25-17-7-3-2-4-8-17)20(23)18-9-5-6-10-19(18)24-21/h2-14H,1H3
InChIKeyOELLZNOAHYQBMR-UHFFFAOYSA-N
XLogP5.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one 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

(E)-2-Styrylchromone
CID 754332
4'-Isopropylflavone
CID 2802462
2-(4-Methylphenyl)chromen-4-one
CID 688829
2-(2-Phenylethyl)chromone
CID 441964
(3E)-2,3-Dihydro-3-((4-methylphenyl)methylene)-4H-1-benzopyran-4-one
CID 914811
2-[4-(4-[18F]Fluorobutyl)benzylsulfanyl]-3-methylchromene-4-one
CID 11617356
Methyl 4-(4-Oxo-4h-Chromen-2-Yl)benzoate
CID 14735886
2-(2-Thienyl)chromone
CID 240093
2-[4-(Trifluoromethyl)phenyl]-4H-chromen-4-one
CID 14735885
3-Methylflavone
CID 51459
2-(4-Methylsulfanylphenyl)chromen-4-one
CID 3245800
2-[[[4-(4-Fluorobutyl)phenyl]methyl]thio]-3-methyl-4H-1-benzopyran-4-one
CID 17755832

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one (CID 141456232) is 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one is Cc1ccc(-c2oc3ccccc3c(=O)c2Sc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one?
The InChIKey is OELLZNOAHYQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S/c1-15-11-13-16(14-12-15)21-22(25-17-7-3-2-4-8-17)20(23)18-9-5-6-10-19(18)24-21/h2-14H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one?
2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one has a molecular weight of 344.44 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenylsulfanylchromen-4-one is sourced from PubChem (CID 141456232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).