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

C12H14BrCl — CID 103165570

IUPAC1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
SMILESClC(CC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrCl/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12H,1-3,8H2
InChIKeyKYZOIUMLDHWNFR-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.92
Rot. Bonds3

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

1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene (PubChem CID 103165570) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
PubChem CID103165570
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
SMILESClC(CC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrCl/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12H,1-3,8H2
InChIKeyKYZOIUMLDHWNFR-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.92
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-butan-2-yl-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165604
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
CID 63435035
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
3-(4-bromophenyl)-3-chloropropanal
CID 87667341
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-bromo-4-(1-chloropropyl)benzene
CID 43114960

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene?
The IUPAC name of 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene (CID 103165570) is 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene?
The canonical SMILES for 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene is ClC(CC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene?
The InChIKey is KYZOIUMLDHWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12H,1-3,8H2.
What are the key properties of 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene?
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene has a molecular weight of 273.60 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene is sourced from PubChem (CID 103165570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).