1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene

C13H17BrO — CID 63017637

IUPAC1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Br)C2CCC2)cc1
InChIInChI=1S/C13H17BrO/c1-15-12-7-5-10(6-8-12)9-13(14)11-3-2-4-11/h5-8,11,13H,2-4,9H2,1H3
InChIKeyWIRKIPKOXOCIHL-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene

1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene (PubChem CID 63017637) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
PubChem CID63017637
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Br)C2CCC2)cc1
InChIInChI=1S/C13H17BrO/c1-15-12-7-5-10(6-8-12)9-13(14)11-3-2-4-11/h5-8,11,13H,2-4,9H2,1H3
InChIKeyWIRKIPKOXOCIHL-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
3-[1-bromo-2-(4-methoxyphenyl)ethyl]thiolane 1,1-dioxide
CID 64904387
1-(2-bromo-2-cyclobutylethyl)-4-fluorobenzene
CID 63018171
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene (CID 63017637) is 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene is COc1ccc(CC(Br)C2CCC2)cc1.
What is the InChIKey of 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene?
The InChIKey is WIRKIPKOXOCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-15-12-7-5-10(6-8-12)9-13(14)11-3-2-4-11/h5-8,11,13H,2-4,9H2,1H3.
What are the key properties of 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene?
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene has a molecular weight of 269.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene is sourced from PubChem (CID 63017637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).