1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene

C16H23Br — CID 103165712

IUPAC1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)CC2CCC2)cc1
InChIInChI=1S/C16H23Br/c1-12(2)10-14-6-8-15(9-7-14)16(17)11-13-4-3-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyUGFVXXUVXHBVBW-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.51
Rot. Bonds5

About 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene

1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene (PubChem CID 103165712) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
PubChem CID103165712
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)CC2CCC2)cc1
InChIInChI=1S/C16H23Br/c1-12(2)10-14-6-8-15(9-7-14)16(17)11-13-4-3-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyUGFVXXUVXHBVBW-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
CID 63435610
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene (CID 103165712) is 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(Br)CC2CCC2)cc1.
What is the InChIKey of 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene?
The InChIKey is UGFVXXUVXHBVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-12(2)10-14-6-8-15(9-7-14)16(17)11-13-4-3-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene?
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene has a molecular weight of 295.26 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 103165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).