6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one

C14H18OS — CID 79224746

IUPAC6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one
SMILESCCC(=O)CCCC1Cc2ccccc2S1
InChIInChI=1S/C14H18OS/c1-2-12(15)7-5-8-13-10-11-6-3-4-9-14(11)16-13/h3-4,6,9,13H,2,5,7-8,10H2,1H3
InChIKeyWFZJELOGFJNPKD-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.85
Rot. Bonds5

About 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one

6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one (PubChem CID 79224746) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one
PubChem CID79224746
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one
SMILESCCC(=O)CCCC1Cc2ccccc2S1
InChIInChI=1S/C14H18OS/c1-2-12(15)7-5-8-13-10-11-6-3-4-9-14(11)16-13/h3-4,6,9,13H,2,5,7-8,10H2,1H3
InChIKeyWFZJELOGFJNPKD-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
CID 81009486
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]propan-1-one
CID 79227434
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfonyl)butanoic acid
CID 105354377
6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 79206748
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-2-methylpropanoic acid
CID 79228924
2-[carboxymethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]acetic acid
CID 79227316
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 130171276

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one?
The IUPAC name of 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one (CID 79224746) is 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one.
What is the SMILES notation for 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one?
The canonical SMILES for 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one is CCC(=O)CCCC1Cc2ccccc2S1.
What is the InChIKey of 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one?
The InChIKey is WFZJELOGFJNPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-12(15)7-5-8-13-10-11-6-3-4-9-14(11)16-13/h3-4,6,9,13H,2,5,7-8,10H2,1H3.
What are the key properties of 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one?
6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one has a molecular weight of 234.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one is sourced from PubChem (CID 79224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).