2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene

C12H17BrOS — CID 103558133

IUPAC2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
SMILESCOC1(CC(Br)Cc2cccs2)CCC1
InChIInChI=1S/C12H17BrOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9H2,1H3
InChIKeyXIZSCHSMUBUTPX-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.01
Rot. Bonds5

About 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene

2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene (PubChem CID 103558133) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene.

Molecular Properties

Compound Name2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
PubChem CID103558133
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
SMILESCOC1(CC(Br)Cc2cccs2)CCC1
InChIInChI=1S/C12H17BrOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9H2,1H3
InChIKeyXIZSCHSMUBUTPX-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
CID 103556889
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
CID 103557841
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
N-[2-[1-(2-thiophen-2-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273984
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene?
The IUPAC name of 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene (CID 103558133) is 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene.
What is the SMILES notation for 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene?
The canonical SMILES for 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene is COC1(CC(Br)Cc2cccs2)CCC1.
What is the InChIKey of 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene?
The InChIKey is XIZSCHSMUBUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9H2,1H3.
What are the key properties of 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene?
2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene has a molecular weight of 289.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene is sourced from PubChem (CID 103558133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).