1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one

C16H18OS — CID 62622317

IUPAC1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C16H18OS/c1-3-15-8-9-16(18-15)11-14(17)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyKCQSBOCSRHERRF-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one

1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one (PubChem CID 62622317) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
PubChem CID62622317
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C16H18OS/c1-3-15-8-9-16(18-15)11-14(17)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyKCQSBOCSRHERRF-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 114967719
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
CID 116556032
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-tert-butylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-one
CID 65133930
2,5-diethylthiophene
CID 521294
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)hexan-2-one
CID 116596414
1-(5-ethylthiophen-2-yl)-4,5,5-trimethylhexan-2-one
CID 114967772

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one (CID 62622317) is 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one is CCc1ccc(CC(=O)Cc2ccc(C)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is KCQSBOCSRHERRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-3-15-8-9-16(18-15)11-14(17)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one?
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 258.39 g/mol, XLogP of 3.97, 5 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-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 62622317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).