2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone

C17H18OS — CID 103450421

IUPAC2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
SMILESO=C(Cc1csc2ccccc12)C1=CCCCCC1
InChIInChI=1S/C17H18OS/c18-16(13-7-3-1-2-4-8-13)11-14-12-19-17-10-6-5-9-15(14)17/h5-7,9-10,12H,1-4,8,11H2
InChIKeyAPBPFDPRNGOJEK-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.90
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone

2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone (PubChem CID 103450421) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
PubChem CID103450421
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
SMILESO=C(Cc1csc2ccccc12)C1=CCCCCC1
InChIInChI=1S/C17H18OS/c18-16(13-7-3-1-2-4-8-13)11-14-12-19-17-10-6-5-9-15(14)17/h5-7,9-10,12H,1-4,8,11H2
InChIKeyAPBPFDPRNGOJEK-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
1-(1-benzothiophen-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79051561
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63738108
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone (CID 103450421) is 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone is O=C(Cc1csc2ccccc12)C1=CCCCCC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone?
The InChIKey is APBPFDPRNGOJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c18-16(13-7-3-1-2-4-8-13)11-14-12-19-17-10-6-5-9-15(14)17/h5-7,9-10,12H,1-4,8,11H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone?
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone has a molecular weight of 270.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone is sourced from PubChem (CID 103450421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).