1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone

C18H22OS — CID 173247446

IUPAC1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
SMILESCC(C)c1cc(C(=O)Cc2ccsc2)cc(C(C)C)c1
InChIInChI=1S/C18H22OS/c1-12(2)15-8-16(13(3)4)10-17(9-15)18(19)7-14-5-6-20-11-14/h5-6,8-13H,7H2,1-4H3
InChIKeyMQTXWVUGBMHHOG-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.42
Rot. Bonds5

About 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone

1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone (PubChem CID 173247446) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
PubChem CID173247446
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
SMILESCC(C)c1cc(C(=O)Cc2ccsc2)cc(C(C)C)c1
InChIInChI=1S/C18H22OS/c1-12(2)15-8-16(13(3)4)10-17(9-15)18(19)7-14-5-6-20-11-14/h5-6,8-13H,7H2,1-4H3
InChIKeyMQTXWVUGBMHHOG-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone (CID 173247446) is 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone is CC(C)c1cc(C(=O)Cc2ccsc2)cc(C(C)C)c1.
What is the InChIKey of 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone?
The InChIKey is MQTXWVUGBMHHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-12(2)15-8-16(13(3)4)10-17(9-15)18(19)7-14-5-6-20-11-14/h5-6,8-13H,7H2,1-4H3.
What are the key properties of 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone?
1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone has a molecular weight of 286.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 173247446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).