1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one

C17H20OS — CID 114967713

IUPAC1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one
SMILESCCc1ccc(CC(=O)C(CC)c2ccccc2)s1
InChIInChI=1S/C17H20OS/c1-3-14-10-11-15(19-14)12-17(18)16(4-2)13-8-6-5-7-9-13/h5-11,16H,3-4,12H2,1-2H3
InChIKeyWUTSOPUFIBUZGM-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.62
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one

1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one (PubChem CID 114967713) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one
PubChem CID114967713
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one
SMILESCCc1ccc(CC(=O)C(CC)c2ccccc2)s1
InChIInChI=1S/C17H20OS/c1-3-14-10-11-15(19-14)12-17(18)16(4-2)13-8-6-5-7-9-13/h5-11,16H,3-4,12H2,1-2H3
InChIKeyWUTSOPUFIBUZGM-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one (CID 114967713) is 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one is CCc1ccc(CC(=O)C(CC)c2ccccc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one?
The InChIKey is WUTSOPUFIBUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-3-14-10-11-15(19-14)12-17(18)16(4-2)13-8-6-5-7-9-13/h5-11,16H,3-4,12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one?
1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one has a molecular weight of 272.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one is sourced from PubChem (CID 114967713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).