2-bromo-1-cyclobutyloxy-4-methylbenzene

C11H13BrO — CID 84702402

IUPAC2-bromo-1-cyclobutyloxy-4-methylbenzene
SMILESCc1ccc(OC2CCC2)c(Br)c1
InChIInChI=1S/C11H13BrO/c1-8-5-6-11(10(12)7-8)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyWUCLAIZMZYYIIO-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.69
Rot. Bonds2

About 2-bromo-1-cyclobutyloxy-4-methylbenzene

2-bromo-1-cyclobutyloxy-4-methylbenzene (PubChem CID 84702402) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-bromo-1-cyclobutyloxy-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-cyclobutyloxy-4-methylbenzene
PubChem CID84702402
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-bromo-1-cyclobutyloxy-4-methylbenzene
SMILESCc1ccc(OC2CCC2)c(Br)c1
InChIInChI=1S/C11H13BrO/c1-8-5-6-11(10(12)7-8)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyWUCLAIZMZYYIIO-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-cyclobutyloxy-4-methylbenzene 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

4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009
3-bromo-4-cyclopentyloxyphenol
CID 68761541
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
CID 43292647
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclobutyloxy-4-methylbenzene?
The IUPAC name of 2-bromo-1-cyclobutyloxy-4-methylbenzene (CID 84702402) is 2-bromo-1-cyclobutyloxy-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-cyclobutyloxy-4-methylbenzene?
The canonical SMILES for 2-bromo-1-cyclobutyloxy-4-methylbenzene is Cc1ccc(OC2CCC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-cyclobutyloxy-4-methylbenzene?
The InChIKey is WUCLAIZMZYYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-8-5-6-11(10(12)7-8)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-bromo-1-cyclobutyloxy-4-methylbenzene?
2-bromo-1-cyclobutyloxy-4-methylbenzene has a molecular weight of 241.13 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclobutyloxy-4-methylbenzene is sourced from PubChem (CID 84702402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).