1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one

C17H20OS — CID 62538353

IUPAC1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
SMILESCc1ccc(C)c(CC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H20OS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11H,3,5-6,12H2,1-2H3
InChIKeyVQXLDGPCPXJIBS-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.50
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one

1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one (PubChem CID 62538353) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
PubChem CID62538353
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
SMILESCc1ccc(C)c(CC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H20OS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11H,3,5-6,12H2,1-2H3
InChIKeyVQXLDGPCPXJIBS-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
CID 63544769
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
CID 105116298
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one
CID 105126597
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652
1-(2,5-dimethylphenyl)-5,6-dimethylheptan-2-one
CID 54101343

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one (CID 62538353) is 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one is Cc1ccc(C)c(CC(=O)CCCc2cccs2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one?
The InChIKey is VQXLDGPCPXJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11H,3,5-6,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one?
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one has a molecular weight of 272.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 62538353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).