1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one

C10H14OS — CID 15761215

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)c(C)s1
InChIInChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6H,1-4H3
InChIKeyUREXEZGSGMYWOD-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.20
Rot. Bonds2

About 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one

1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one (PubChem CID 15761215) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
PubChem CID15761215
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)c(C)s1
InChIInChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6H,1-4H3
InChIKeyUREXEZGSGMYWOD-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2,5-dimethylthiophen-3-yl)propan-1-one
CID 43144150
1-(2,5-dimethylthiophen-3-yl)-2-methylbutan-1-one
CID 43161414
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
CID 43339474
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
CID 114962093
ethane;methyl 2,5-dimethylthiophene-3-carboxylate
CID 143851717
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43222252
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
CID 43795704
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779
N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 47367907

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one (CID 15761215) is 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one is Cc1cc(C(=O)C(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one?
The InChIKey is UREXEZGSGMYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6H,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one?
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 15761215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).