1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone

C15H16O2S — CID 103558918

IUPAC1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cccc3ccsc23)CCC1
InChIInChI=1S/C15H16O2S/c1-17-15(7-3-8-15)10-13(16)12-5-2-4-11-6-9-18-14(11)12/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyHAFSNLMRORODNB-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.04
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone

1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103558918) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103558918
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cccc3ccsc23)CCC1
InChIInChI=1S/C15H16O2S/c1-17-15(7-3-8-15)10-13(16)12-5-2-4-11-6-9-18-14(11)12/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyHAFSNLMRORODNB-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103558918) is 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2cccc3ccsc23)CCC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is HAFSNLMRORODNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-17-15(7-3-8-15)10-13(16)12-5-2-4-11-6-9-18-14(11)12/h2,4-6,9H,3,7-8,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103558918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).