1-benzothiophen-7-yl(cyclohexen-1-yl)methanone

C15H14OS — CID 103450051

IUPAC1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)c1cccc2ccsc12
InChIInChI=1S/C15H14OS/c16-14(11-5-2-1-3-6-11)13-8-4-7-12-9-10-17-15(12)13/h4-5,7-10H,1-3,6H2
InChIKeyNIDQKCIEVYDAAS-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.58
Rot. Bonds2

About 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone

1-benzothiophen-7-yl(cyclohexen-1-yl)methanone (PubChem CID 103450051) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
PubChem CID103450051
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)c1cccc2ccsc12
InChIInChI=1S/C15H14OS/c16-14(11-5-2-1-3-6-11)13-8-4-7-12-9-10-17-15(12)13/h4-5,7-10H,1-3,6H2
InChIKeyNIDQKCIEVYDAAS-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone (CID 103450051) is 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone is O=C(C1=CCCCC1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone?
The InChIKey is NIDQKCIEVYDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-14(11-5-2-1-3-6-11)13-8-4-7-12-9-10-17-15(12)13/h4-5,7-10H,1-3,6H2.
What are the key properties of 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone?
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone has a molecular weight of 242.34 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(cyclohexen-1-yl)methanone is sourced from PubChem (CID 103450051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).