1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one

C16H18O2S — CID 142647578

IUPAC1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
SMILESCCC(=O)C(Cc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C16H18O2S/c1-3-15(17)14(16-5-4-10-19-16)11-12-6-8-13(18-2)9-7-12/h4-10,14H,3,11H2,1-2H3
InChIKeyJTYAPBYNSSZXPS-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one

1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one (PubChem CID 142647578) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
PubChem CID142647578
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
SMILESCCC(=O)C(Cc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C16H18O2S/c1-3-15(17)14(16-5-4-10-19-16)11-12-6-8-13(18-2)9-7-12/h4-10,14H,3,11H2,1-2H3
InChIKeyJTYAPBYNSSZXPS-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898
(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
CID 68960165
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20988831
methyl 4-(4-methoxyphenyl)-4-oxo-2-thiophen-2-ylbutanoate
CID 54343280
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22687405
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
3-[4-(2-tert-butylphenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20993287
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one (CID 142647578) is 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one is CCC(=O)C(Cc1ccc(OC)cc1)c1cccs1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one?
The InChIKey is JTYAPBYNSSZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-3-15(17)14(16-5-4-10-19-16)11-12-6-8-13(18-2)9-7-12/h4-10,14H,3,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one?
1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one has a molecular weight of 274.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one is sourced from PubChem (CID 142647578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).