2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone

C16H16O2S — CID 79217516

IUPAC2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H16O2S/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10H,11H2,1-2H3
InChIKeyNURPPTHOHPOLTD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone

2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone (PubChem CID 79217516) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
PubChem CID79217516
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H16O2S/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10H,11H2,1-2H3
InChIKeyNURPPTHOHPOLTD-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 24725827
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 114963247
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(2-cyclobutylphenyl)-2-(3-methoxyphenyl)ethanone
CID 114601759
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone (CID 79217516) is 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone is COc1cccc(CC(=O)c2ccccc2SC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The InChIKey is NURPPTHOHPOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone?
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone has a molecular weight of 272.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 79217516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).