2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one

C17H20OS — CID 43331703

IUPAC2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one
SMILESCC(C)C(=O)c1ccc(-c2ccccc2C(C)C)s1
InChIInChI=1S/C17H20OS/c1-11(2)13-7-5-6-8-14(13)15-9-10-16(19-15)17(18)12(3)4/h5-12H,1-4H3
InChIKeyMIJAYWNZJLACLY-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.38
Rot. Bonds4

About 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one

2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one (PubChem CID 43331703) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one
PubChem CID43331703
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one
SMILESCC(C)C(=O)c1ccc(-c2ccccc2C(C)C)s1
InChIInChI=1S/C17H20OS/c1-11(2)13-7-5-6-8-14(13)15-9-10-16(19-15)17(18)12(3)4/h5-12H,1-4H3
InChIKeyMIJAYWNZJLACLY-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
CID 43154054
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 83880201
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632129
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one (CID 43331703) is 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one is CC(C)C(=O)c1ccc(-c2ccccc2C(C)C)s1.
What is the InChIKey of 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one?
The InChIKey is MIJAYWNZJLACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-11(2)13-7-5-6-8-14(13)15-9-10-16(19-15)17(18)12(3)4/h5-12H,1-4H3.
What are the key properties of 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one?
2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one has a molecular weight of 272.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 43331703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).