2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one

C15H18OS — CID 79228612

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H18OS/c16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17-13/h2,4,6,8,11,13H,1,3,5,7,9-10H2
InChIKeyVKRCKDDUEPZXAG-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.85
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one (PubChem CID 79228612) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
PubChem CID79228612
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H18OS/c16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17-13/h2,4,6,8,11,13H,1,3,5,7,9-10H2
InChIKeyVKRCKDDUEPZXAG-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cycloheptan-1-one
CID 79220650
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one
CID 79224748
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 113440439
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one (CID 79228612) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one is O=C1CCCCC1CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one?
The InChIKey is VKRCKDDUEPZXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17-13/h2,4,6,8,11,13H,1,3,5,7,9-10H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one has a molecular weight of 246.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 79228612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).