1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one

C18H16OS — CID 105101445

IUPAC1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)Cc1cccc2ccccc12
InChIInChI=1S/C18H16OS/c19-16(10-11-17-8-4-12-20-17)13-15-7-3-6-14-5-1-2-9-18(14)15/h1-9,12H,10-11,13H2
InChIKeyTYCWLJGZXNPPBL-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.65
Rot. Bonds5

About 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one

1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one (PubChem CID 105101445) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
PubChem CID105101445
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)Cc1cccc2ccccc12
InChIInChI=1S/C18H16OS/c19-16(10-11-17-8-4-12-20-17)13-15-7-3-6-14-5-1-2-9-18(14)15/h1-9,12H,10-11,13H2
InChIKeyTYCWLJGZXNPPBL-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
CID 8718468
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one (CID 105101445) is 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one?
The InChIKey is TYCWLJGZXNPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c19-16(10-11-17-8-4-12-20-17)13-15-7-3-6-14-5-1-2-9-18(14)15/h1-9,12H,10-11,13H2.
What are the key properties of 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one?
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one has a molecular weight of 280.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 105101445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).