1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one

C15H16OS — CID 114975971

IUPAC1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1csc(C)c1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-3-14(12-7-5-4-6-8-12)15(16)13-9-11(2)17-10-13/h4-10,14H,3H2,1-2H3
InChIKeyILJSJKPPGZSODD-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.43
Rot. Bonds4

About 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one

1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one (PubChem CID 114975971) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
PubChem CID114975971
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1csc(C)c1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-3-14(12-7-5-4-6-8-12)15(16)13-9-11(2)17-10-13/h4-10,14H,3H2,1-2H3
InChIKeyILJSJKPPGZSODD-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
CID 43339474
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
1-(4,5-dimethylthiophen-2-yl)-2-phenylbutan-1-one
CID 101490233
2,2-diethoxy-1-(5-methylthiophen-3-yl)ethanone
CID 79495934
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one (CID 114975971) is 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one is CCC(C(=O)c1csc(C)c1)c1ccccc1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one?
The InChIKey is ILJSJKPPGZSODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-3-14(12-7-5-4-6-8-12)15(16)13-9-11(2)17-10-13/h4-10,14H,3H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one?
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 114975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).