1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone

C14H14O2S — CID 81153665

IUPAC1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCO1
InChIInChI=1S/C14H14O2S/c1-14(7-3-8-16-14)13(15)11-5-2-4-10-6-9-17-12(10)11/h2,4-6,9H,3,7-8H2,1H3
InChIKeyNLCLWUAEZJWFDZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.65
Rot. Bonds2

About 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone

1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone (PubChem CID 81153665) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
PubChem CID81153665
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCO1
InChIInChI=1S/C14H14O2S/c1-14(7-3-8-16-14)13(15)11-5-2-4-10-6-9-17-12(10)11/h2,4-6,9H,3,7-8H2,1H3
InChIKeyNLCLWUAEZJWFDZ-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone (CID 81153665) is 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone is CC1(C(=O)c2cccc3ccsc23)CCCO1.
What is the InChIKey of 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone?
The InChIKey is NLCLWUAEZJWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-14(7-3-8-16-14)13(15)11-5-2-4-10-6-9-17-12(10)11/h2,4-6,9H,3,7-8H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone?
1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81153665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).