2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone

C16H16OS — CID 55243638

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CCCc2ccccc21)c1ccsc1
InChIInChI=1S/C16H16OS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2
InChIKeyDADGECIHFINSRB-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.44
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone (PubChem CID 55243638) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
PubChem CID55243638
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CCCc2ccccc21)c1ccsc1
InChIInChI=1S/C16H16OS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2
InChIKeyDADGECIHFINSRB-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanol
CID 63771282
1-(4,5-dibromothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964210
1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 105082761
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(2-bromo-5-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964226
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469
1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116584802
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone (CID 55243638) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone is O=C(CC1CCCc2ccccc21)c1ccsc1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone?
The InChIKey is DADGECIHFINSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-16(14-8-9-18-11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13H,3,5-6,10H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone has a molecular weight of 256.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone is sourced from PubChem (CID 55243638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).