2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone

C14H14OS — CID 65099524

IUPAC2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cccc(CC(=O)c2csc(C)c2)c1
InChIInChI=1S/C14H14OS/c1-10-4-3-5-12(6-10)8-14(15)13-7-11(2)16-9-13/h3-7,9H,8H2,1-2H3
InChIKeyYELVKQNTDGUQQR-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.79
Rot. Bonds3

About 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone

2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone (PubChem CID 65099524) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
PubChem CID65099524
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cccc(CC(=O)c2csc(C)c2)c1
InChIInChI=1S/C14H14OS/c1-10-4-3-5-12(6-10)8-14(15)13-7-11(2)16-9-13/h3-7,9H,8H2,1-2H3
InChIKeyYELVKQNTDGUQQR-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

1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099356
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone (CID 65099524) is 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone is Cc1cccc(CC(=O)c2csc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone?
The InChIKey is YELVKQNTDGUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-10-4-3-5-12(6-10)8-14(15)13-7-11(2)16-9-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone?
2-(3-methylphenyl)-1-(5-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-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 65099524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).