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

C15H16O2S — CID 81152952

IUPAC1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCCO1
InChIInChI=1S/C15H16O2S/c1-15(8-2-3-9-17-15)14(16)12-6-4-5-11-7-10-18-13(11)12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyIXVGTXIJWJFBKP-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.04
Rot. Bonds2

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

1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone (PubChem CID 81152952) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
PubChem CID81152952
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCCO1
InChIInChI=1S/C15H16O2S/c1-15(8-2-3-9-17-15)14(16)12-6-4-5-11-7-10-18-13(11)12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyIXVGTXIJWJFBKP-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.04
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-methyloxan-2-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone (CID 81152952) is 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone is CC1(C(=O)c2cccc3ccsc23)CCCCO1.
What is the InChIKey of 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone?
The InChIKey is IXVGTXIJWJFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-15(8-2-3-9-17-15)14(16)12-6-4-5-11-7-10-18-13(11)12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone?
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 4.04, 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-methyloxan-2-yl)methanone is sourced from PubChem (CID 81152952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).