1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone

C16H18O2S — CID 103457692

IUPAC1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
SMILESO=C(c1cccc2ccsc12)C(O)C1CCCCC1
InChIInChI=1S/C16H18O2S/c17-14(11-5-2-1-3-6-11)15(18)13-8-4-7-12-9-10-19-16(12)13/h4,7-11,14,17H,1-3,5-6H2
InChIKeyNBQHCKYCQUWMAM-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.03
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone

1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone (PubChem CID 103457692) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
PubChem CID103457692
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
SMILESO=C(c1cccc2ccsc12)C(O)C1CCCCC1
InChIInChI=1S/C16H18O2S/c17-14(11-5-2-1-3-6-11)15(18)13-8-4-7-12-9-10-19-16(12)13/h4,7-11,14,17H,1-3,5-6H2
InChIKeyNBQHCKYCQUWMAM-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
CID 116708929
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
CID 138594047
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
CID 107003986
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
CID 103450051

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone (CID 103457692) is 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone is O=C(c1cccc2ccsc12)C(O)C1CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone?
The InChIKey is NBQHCKYCQUWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c17-14(11-5-2-1-3-6-11)15(18)13-8-4-7-12-9-10-19-16(12)13/h4,7-11,14,17H,1-3,5-6H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone?
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone has a molecular weight of 274.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 103457692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).