1-(2-bromoethyl)-2-propylbenzene

C11H15Br — CID 70218831

IUPAC1-(2-bromoethyl)-2-propylbenzene
SMILESCCCc1ccccc1CCBr
InChIInChI=1S/C11H15Br/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyCCPGLUUQWYBLRK-UHFFFAOYSA-N
MW227.14 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-bromoethyl)-2-propylbenzene

1-(2-bromoethyl)-2-propylbenzene (PubChem CID 70218831) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-propylbenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-propylbenzene
PubChem CID70218831
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name1-(2-bromoethyl)-2-propylbenzene
SMILESCCCc1ccccc1CCBr
InChIInChI=1S/C11H15Br/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyCCPGLUUQWYBLRK-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 53.58
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

ethane;(2-propylphenyl)methanethiol
CID 142320785
2-bromo-1-(2-propylphenyl)ethanone
CID 22121427
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
1-prop-2-enyl-2-propylbenzene
CID 12585186
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
2-(2-propylphenyl)acetic acid
CID 46897017
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
ethyl 2-[2-(2-bromoethyl)phenyl]acetate
CID 174487319
2-(2-bromoethyl)benzenethiol
CID 22048103
1-bromopropane;propylbenzene
CID 158382353
1-but-2-enyl-2-propylbenzene
CID 139617865
1-hept-3-enyl-2-propylbenzene
CID 91473483

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-2-propylbenzene?
The IUPAC name of 1-(2-bromoethyl)-2-propylbenzene (CID 70218831) is 1-(2-bromoethyl)-2-propylbenzene.
What is the SMILES notation for 1-(2-bromoethyl)-2-propylbenzene?
The canonical SMILES for 1-(2-bromoethyl)-2-propylbenzene is CCCc1ccccc1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-propylbenzene?
The InChIKey is CCPGLUUQWYBLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 1-(2-bromoethyl)-2-propylbenzene?
1-(2-bromoethyl)-2-propylbenzene has a molecular weight of 227.14 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-propylbenzene is sourced from PubChem (CID 70218831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).