3-methylsulfanyl-1,3-diphenylpropan-1-one

C16H16OS — CID 14968710

IUPAC3-methylsulfanyl-1,3-diphenylpropan-1-one
SMILESCSC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OS/c1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeyVCMFSHGBJKABMW-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.36
Rot. Bonds5

About 3-methylsulfanyl-1,3-diphenylpropan-1-one

3-methylsulfanyl-1,3-diphenylpropan-1-one (PubChem CID 14968710) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-methylsulfanyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-methylsulfanyl-1,3-diphenylpropan-1-one
PubChem CID14968710
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name3-methylsulfanyl-1,3-diphenylpropan-1-one
SMILESCSC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OS/c1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeyVCMFSHGBJKABMW-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1,3-diphenylpropan-1-one?
The IUPAC name of 3-methylsulfanyl-1,3-diphenylpropan-1-one (CID 14968710) is 3-methylsulfanyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-methylsulfanyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-methylsulfanyl-1,3-diphenylpropan-1-one is CSC(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylsulfanyl-1,3-diphenylpropan-1-one?
The InChIKey is VCMFSHGBJKABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3.
What are the key properties of 3-methylsulfanyl-1,3-diphenylpropan-1-one?
3-methylsulfanyl-1,3-diphenylpropan-1-one has a molecular weight of 256.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 14968710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).