2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone

C14H14OS — CID 79803189

IUPAC2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
SMILESCc1ccccc1CC(=O)c1cscc1C
InChIInChI=1S/C14H14OS/c1-10-5-3-4-6-12(10)7-14(15)13-9-16-8-11(13)2/h3-6,8-9H,7H2,1-2H3
InChIKeyWCKOIGZRWGADNJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone

2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone (PubChem CID 79803189) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
PubChem CID79803189
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
SMILESCc1ccccc1CC(=O)c1cscc1C
InChIInChI=1S/C14H14OS/c1-10-5-3-4-6-12(10)7-14(15)13-9-16-8-11(13)2/h3-6,8-9H,7H2,1-2H3
InChIKeyWCKOIGZRWGADNJ-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
2-(2-methylphenyl)acetic acid
CID 67440217
2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
CID 81317829
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone (CID 79803189) is 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone is Cc1ccccc1CC(=O)c1cscc1C.
What is the InChIKey of 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone?
The InChIKey is WCKOIGZRWGADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-10-5-3-4-6-12(10)7-14(15)13-9-16-8-11(13)2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone?
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone has a molecular weight of 230.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 79803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).