2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene

C11H15BrOS — CID 65007480

IUPAC2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
SMILESBrCC1(COCc2cccs2)CCC1
InChIInChI=1S/C11H15BrOS/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2
InChIKeyNYKNTDVVKSUDDA-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.83
Rot. Bonds5

About 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene

2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene (PubChem CID 65007480) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
PubChem CID65007480
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
SMILESBrCC1(COCc2cccs2)CCC1
InChIInChI=1S/C11H15BrOS/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2
InChIKeyNYKNTDVVKSUDDA-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanamine
CID 65495835
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide
CID 65494634
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
2-(ethoxymethyl)thiophene
CID 12699283
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane
CID 66474968
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
5-[[1-(bromomethyl)cyclohexyl]methoxymethyl]-1,3-benzodioxole
CID 65001893
2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
CID 65001558
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
2-(bromomethyl)thiophene
CID 11829978

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene (CID 65007480) is 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene is BrCC1(COCc2cccs2)CCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene?
The InChIKey is NYKNTDVVKSUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c12-8-11(4-2-5-11)9-13-7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene?
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene has a molecular weight of 275.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene is sourced from PubChem (CID 65007480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).