1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one

C16H16OS — CID 24725579

IUPAC1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
SMILESCSc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H16OS/c1-18-16-10-6-5-9-14(16)15(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyNQBDDJIBJFVZRG-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one

1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one (PubChem CID 24725579) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
PubChem CID24725579
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
SMILESCSc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H16OS/c1-18-16-10-6-5-9-14(16)15(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyNQBDDJIBJFVZRG-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
3-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 24725827
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
N-benzyl-2-methylsulfanylbenzamide
CID 966900
3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one
CID 10662743
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 114963247
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one (CID 24725579) is 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one is CSc1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one?
The InChIKey is NQBDDJIBJFVZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-18-16-10-6-5-9-14(16)15(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one?
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one has a molecular weight of 256.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 24725579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).