1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one

C15H16OS — CID 114962833

IUPAC1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
SMILESCCc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C15H16OS/c1-2-13-10-11-17-15(13)14(16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyLLCYMZYRDZXTJI-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.13
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one

1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one (PubChem CID 114962833) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
PubChem CID114962833
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
SMILESCCc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C15H16OS/c1-2-13-10-11-17-15(13)14(16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyLLCYMZYRDZXTJI-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
7-[2-(3-phenylpropanoyl)thiophen-3-yl]heptanoic acid
CID 15666625
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969994
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
1-(3-ethylthiophen-2-yl)pent-4-yn-1-one
CID 114972763
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
1-(3-chlorothiophen-2-yl)-4-phenylbutan-1-one
CID 114969877
1-(3-ethylthiophen-2-yl)-2-methoxyethanone
CID 115783314
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
[(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)thiophen-3-yl]oxypropyl]-propylazanium
CID 7057173
propanoyl 3-phenylpropanoate
CID 19437711

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one (CID 114962833) is 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one is CCc1ccsc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one?
The InChIKey is LLCYMZYRDZXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-2-13-10-11-17-15(13)14(16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one?
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 114962833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).