2-(4-methylsulfanylphenyl)chromen-4-one

C16H12O2S — CID 3245800

IUPAC2-(4-methylsulfanylphenyl)chromen-4-one
SMILESCSc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C16H12O2S/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyJYAFOPOPHFBJLC-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.18
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)chromen-4-one

2-(4-methylsulfanylphenyl)chromen-4-one (PubChem CID 3245800) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)chromen-4-one
PubChem CID3245800
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name2-(4-methylsulfanylphenyl)chromen-4-one
SMILESCSc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C16H12O2S/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyJYAFOPOPHFBJLC-UHFFFAOYSA-N
XLogP4.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylsulfanylphenyl)chromen-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)chromen-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)chromen-4-one (CID 3245800) is 2-(4-methylsulfanylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)chromen-4-one is CSc1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)chromen-4-one?
The InChIKey is JYAFOPOPHFBJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)chromen-4-one?
2-(4-methylsulfanylphenyl)chromen-4-one has a molecular weight of 268.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)chromen-4-one is sourced from PubChem (CID 3245800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).