2-(3-bromopropyl)-1-chloro-3-ethylbenzene

C11H14BrCl — CID 118841377

IUPAC2-(3-bromopropyl)-1-chloro-3-ethylbenzene
SMILESCCc1cccc(Cl)c1CCCBr
InChIInChI=1S/C11H14BrCl/c1-2-9-5-3-7-11(13)10(9)6-4-8-12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyNUAOCQGQAWRQNQ-UHFFFAOYSA-N
MW261.59 g/mol
LogP4.23
Rot. Bonds4

About 2-(3-bromopropyl)-1-chloro-3-ethylbenzene

2-(3-bromopropyl)-1-chloro-3-ethylbenzene (PubChem CID 118841377) has the molecular formula C11H14BrCl and a molecular weight of 261.59 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-chloro-3-ethylbenzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-chloro-3-ethylbenzene
PubChem CID118841377
Molecular FormulaC11H14BrCl
Molecular Weight261.59 g/mol
Exact Mass260.00
IUPAC Name2-(3-bromopropyl)-1-chloro-3-ethylbenzene
SMILESCCc1cccc(Cl)c1CCCBr
InChIInChI=1S/C11H14BrCl/c1-2-9-5-3-7-11(13)10(9)6-4-8-12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyNUAOCQGQAWRQNQ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.59
LogP ≤ 54.23
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-(3-bromopropyl)-3-chloro-2-methylbenzene
CID 59407894
2-(3-bromopropyl)-1-chloro-3-iodobenzene
CID 118830271
1-bromo-3-(2-chloro-6-ethylphenyl)propan-2-one
CID 134616253
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
2-(3-bromopropyl)-1-ethyl-3-(trifluoromethoxy)benzene
CID 118841491
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
1-(3-bromopropyl)-3-chloro-2-iodobenzene
CID 118824484
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
(3-chloro-2-ethylphenyl)methanol
CID 118269686
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-chloro-3-ethylbenzene?
The IUPAC name of 2-(3-bromopropyl)-1-chloro-3-ethylbenzene (CID 118841377) is 2-(3-bromopropyl)-1-chloro-3-ethylbenzene.
What is the SMILES notation for 2-(3-bromopropyl)-1-chloro-3-ethylbenzene?
The canonical SMILES for 2-(3-bromopropyl)-1-chloro-3-ethylbenzene is CCc1cccc(Cl)c1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-chloro-3-ethylbenzene?
The InChIKey is NUAOCQGQAWRQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl/c1-2-9-5-3-7-11(13)10(9)6-4-8-12/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of 2-(3-bromopropyl)-1-chloro-3-ethylbenzene?
2-(3-bromopropyl)-1-chloro-3-ethylbenzene has a molecular weight of 261.59 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-chloro-3-ethylbenzene is sourced from PubChem (CID 118841377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).