2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone

C17H18OS — CID 114963247

IUPAC2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H18OS/c1-12-8-13(2)10-14(9-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyUJPNFOVGYMRMRD-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.45
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone

2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone (PubChem CID 114963247) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
PubChem CID114963247
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H18OS/c1-12-8-13(2)10-14(9-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyUJPNFOVGYMRMRD-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
CID 114963222
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
CID 114967517
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone (CID 114963247) is 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone is CSc1ccccc1C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone?
The InChIKey is UJPNFOVGYMRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-12-8-13(2)10-14(9-12)11-16(18)15-6-4-5-7-17(15)19-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone?
2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone has a molecular weight of 270.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 114963247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).