1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone

C14H14OS — CID 13401836

IUPAC1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H14OS/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8H,1-3H3
InChIKeyKCJFSXQFUZOHGW-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.23
Rot. Bonds2

About 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone

1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone (PubChem CID 13401836) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
PubChem CID13401836
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H14OS/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8H,1-3H3
InChIKeyKCJFSXQFUZOHGW-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
CID 81259902
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
CID 79050472
1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanone
CID 43154087
5-(5-acetylthiophen-2-yl)-1,2-benzothiazol-3-one
CID 143795320
1-[5-(3-bromo-2,6-dimethylphenyl)thiophen-2-yl]ethanone
CID 164973501
1-[5-[3-[amino(hydroxy)methyl]phenyl]thiophen-2-yl]ethanone
CID 82541874
1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
CID 54965439
1-[5-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]thiophen-2-yl]ethanone
CID 11623891

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone (CID 13401836) is 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(C)c(C)c2)s1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone?
The InChIKey is KCJFSXQFUZOHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8H,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone?
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone has a molecular weight of 230.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 13401836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).