2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one

C18H16O2S — CID 125486494

IUPAC2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one
SMILESCc1cc(C)c(-c2c(O)sc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H16O2S/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)21-18(16)20/h4-9,20H,1-3H3
InChIKeyMTGKBUFVJNQSIR-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.56
Rot. Bonds1

About 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one

2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one (PubChem CID 125486494) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one.

Molecular Properties

Compound Name2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one
PubChem CID125486494
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one
SMILESCc1cc(C)c(-c2c(O)sc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H16O2S/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)21-18(16)20/h4-9,20H,1-3H3
InChIKeyMTGKBUFVJNQSIR-UHFFFAOYSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-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

3-hydroxy-1-methylthioxanthen-9-one
CID 56688041
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871
3-bromo-2-methylthiochromen-4-one
CID 119090270
2-iodo-4-methylthioxanthen-9-one
CID 145386741
2-(2,5-dimethylphenyl)sulfinylthioxanthen-9-one
CID 154642403
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
2-methylthieno[2,3-b]thiochromen-4-one
CID 14920148
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
2-tert-butylthioxanthen-9-one
CID 15593710
3,4-dimethylthioxanthen-9-one
CID 13113961
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one?
The IUPAC name of 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one (CID 125486494) is 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one.
What is the SMILES notation for 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one?
The canonical SMILES for 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one is Cc1cc(C)c(-c2c(O)sc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one?
The InChIKey is MTGKBUFVJNQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)21-18(16)20/h4-9,20H,1-3H3.
What are the key properties of 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one?
2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one has a molecular weight of 296.39 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2,4,6-trimethylphenyl)thiochromen-4-one is sourced from PubChem (CID 125486494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).