1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

C17H18O2S — CID 115783991

IUPAC1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cc2ccccc2s1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H18O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,10,13H,3,6-9,11H2
InChIKeyBRGQVVCLINJZEC-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.43
Rot. Bonds2

About 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 115783991) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID115783991
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cc2ccccc2s1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H18O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,10,13H,3,6-9,11H2
InChIKeyBRGQVVCLINJZEC-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788238
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115783913
1-benzothiophen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783963
(4,5-dibromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787316
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921875
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783977
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-2-yl)methanone
CID 79912888
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 115783991) is 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1cc2ccccc2s1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is BRGQVVCLINJZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,10,13H,3,6-9,11H2.
What are the key properties of 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 286.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 115783991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).