1-(2-bromoethyl)-2-cyclobutylbenzene

C12H15Br — CID 114605787

IUPAC1-(2-bromoethyl)-2-cyclobutylbenzene
SMILESBrCCc1ccccc1C1CCC1
InChIInChI=1S/C12H15Br/c13-9-8-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2
InChIKeyAVSIIBBUHNPITJ-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-bromoethyl)-2-cyclobutylbenzene

1-(2-bromoethyl)-2-cyclobutylbenzene (PubChem CID 114605787) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-cyclobutylbenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-cyclobutylbenzene
PubChem CID114605787
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-(2-bromoethyl)-2-cyclobutylbenzene
SMILESBrCCc1ccccc1C1CCC1
InChIInChI=1S/C12H15Br/c13-9-8-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2
InChIKeyAVSIIBBUHNPITJ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 53.89
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

2-(2-cycloheptylphenyl)ethanamine
CID 83836329
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
O-[(2-cyclobutylphenyl)methyl]hydroxylamine
CID 117277584
3-(2-cyclobutylphenyl)-1-phenylpropan-1-amine
CID 114606196
1-(3-chlorohexyl)-2-cyclobutylbenzene
CID 114606490
1-cyclohexyl-2-heptylbenzene
CID 154399814
1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine
CID 114606294
3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 114606219
3-(2-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114606308
1-cyclopropyl-2-hexylbenzene
CID 172995295
2-(2-cyclopentylphenyl)acetamide
CID 68862878
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-2-cyclobutylbenzene?
The IUPAC name of 1-(2-bromoethyl)-2-cyclobutylbenzene (CID 114605787) is 1-(2-bromoethyl)-2-cyclobutylbenzene.
What is the SMILES notation for 1-(2-bromoethyl)-2-cyclobutylbenzene?
The canonical SMILES for 1-(2-bromoethyl)-2-cyclobutylbenzene is BrCCc1ccccc1C1CCC1.
What is the InChIKey of 1-(2-bromoethyl)-2-cyclobutylbenzene?
The InChIKey is AVSIIBBUHNPITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-9-8-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2.
What are the key properties of 1-(2-bromoethyl)-2-cyclobutylbenzene?
1-(2-bromoethyl)-2-cyclobutylbenzene has a molecular weight of 239.16 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-cyclobutylbenzene is sourced from PubChem (CID 114605787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).