2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone

C15H14OS — CID 156849368

IUPAC2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone
SMILESO=C(CC1CC1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H14OS/c16-14(10-11-3-4-11)12-5-7-13(8-6-12)15-2-1-9-17-15/h1-2,5-9,11H,3-4,10H2
InChIKeyIRQQYVMULADKQV-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.40
Rot. Bonds4

About 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone

2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone (PubChem CID 156849368) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone
PubChem CID156849368
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone
SMILESO=C(CC1CC1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H14OS/c16-14(10-11-3-4-11)12-5-7-13(8-6-12)15-2-1-9-17-15/h1-2,5-9,11H,3-4,10H2
InChIKeyIRQQYVMULADKQV-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-thiophen-2-ylbenzoyl chloride
CID 158319353
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
1-[4-[[(2R,6S)-2,6-dimethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 157339712
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
(4-thiophen-2-ylphenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178152

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone (CID 156849368) is 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone is O=C(CC1CC1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone?
The InChIKey is IRQQYVMULADKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-14(10-11-3-4-11)12-5-7-13(8-6-12)15-2-1-9-17-15/h1-2,5-9,11H,3-4,10H2.
What are the key properties of 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone?
2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone has a molecular weight of 242.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone is sourced from PubChem (CID 156849368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).