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

C16H18OS — CID 43339474

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C16H18OS/c1-4-14(13-8-6-5-7-9-13)16(17)15-10-11(2)18-12(15)3/h5-10,14H,4H2,1-3H3
InChIKeyANUUDIZJEWARQY-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.74
Rot. Bonds4

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

1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one (PubChem CID 43339474) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
PubChem CID43339474
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C16H18OS/c1-4-14(13-8-6-5-7-9-13)16(17)15-10-11(2)18-12(15)3/h5-10,14H,4H2,1-3H3
InChIKeyANUUDIZJEWARQY-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dimethylthiophen-2-yl)-2-phenylbutan-1-one
CID 101490233
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
1-(2,5-dimethylthiophen-3-yl)-2-methylbutan-1-one
CID 43161414
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
CID 47113989
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one (CID 43339474) is 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one is CCC(C(=O)c1cc(C)sc1C)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one?
The InChIKey is ANUUDIZJEWARQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-4-14(13-8-6-5-7-9-13)16(17)15-10-11(2)18-12(15)3/h5-10,14H,4H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one?
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one has a molecular weight of 258.39 g/mol, XLogP of 4.74, 4 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-phenylbutan-1-one is sourced from PubChem (CID 43339474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).