1-(8-bromooctyl)-2-chlorobenzene

C14H20BrCl — CID 18786455

IUPAC1-(8-bromooctyl)-2-chlorobenzene
SMILESClc1ccccc1CCCCCCCCBr
InChIInChI=1S/C14H20BrCl/c15-12-8-4-2-1-3-5-9-13-10-6-7-11-14(13)16/h6-7,10-11H,1-5,8-9,12H2
InChIKeyUUHLLMCGFSWXRL-UHFFFAOYSA-N
MW303.67 g/mol
LogP5.62
Rot. Bonds8

About 1-(8-bromooctyl)-2-chlorobenzene

1-(8-bromooctyl)-2-chlorobenzene (PubChem CID 18786455) has the molecular formula C14H20BrCl and a molecular weight of 303.67 g/mol. Its IUPAC name is 1-(8-bromooctyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(8-bromooctyl)-2-chlorobenzene
PubChem CID18786455
Molecular FormulaC14H20BrCl
Molecular Weight303.67 g/mol
Exact Mass302.04
IUPAC Name1-(8-bromooctyl)-2-chlorobenzene
SMILESClc1ccccc1CCCCCCCCBr
InChIInChI=1S/C14H20BrCl/c15-12-8-4-2-1-3-5-9-13-10-6-7-11-14(13)16/h6-7,10-11H,1-5,8-9,12H2
InChIKeyUUHLLMCGFSWXRL-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.67
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
azane;1-butyl-2-chlorobenzene
CID 19011342
1-(3-bromopropyl)-3-chloro-2-methylbenzene
CID 59407894
1-(3-bromopropyl)-3-chloro-2-iodobenzene
CID 118824484
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide
CID 175145177
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
2-(7-bromoheptyl)benzaldehyde
CID 15617526
1-(12-bromododecyl)-2-(2-bromopropan-2-yl)benzene
CID 168867161
1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromooctyl)-2-chlorobenzene?
The IUPAC name of 1-(8-bromooctyl)-2-chlorobenzene (CID 18786455) is 1-(8-bromooctyl)-2-chlorobenzene.
What is the SMILES notation for 1-(8-bromooctyl)-2-chlorobenzene?
The canonical SMILES for 1-(8-bromooctyl)-2-chlorobenzene is Clc1ccccc1CCCCCCCCBr.
What is the InChIKey of 1-(8-bromooctyl)-2-chlorobenzene?
The InChIKey is UUHLLMCGFSWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrCl/c15-12-8-4-2-1-3-5-9-13-10-6-7-11-14(13)16/h6-7,10-11H,1-5,8-9,12H2.
What are the key properties of 1-(8-bromooctyl)-2-chlorobenzene?
1-(8-bromooctyl)-2-chlorobenzene has a molecular weight of 303.67 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromooctyl)-2-chlorobenzene is sourced from PubChem (CID 18786455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).