1-(1-bromodecyl)-2,4-dichlorobenzene

C16H23BrCl2 — CID 65427160

IUPAC1-(1-bromodecyl)-2,4-dichlorobenzene
SMILESCCCCCCCCCC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23BrCl2/c1-2-3-4-5-6-7-8-9-15(17)14-11-10-13(18)12-16(14)19/h10-12,15H,2-9H2,1H3
InChIKeyGXTYGIQVKNWHCH-UHFFFAOYSA-N
MW366.17 g/mol
LogP7.57
Rot. Bonds9

About 1-(1-bromodecyl)-2,4-dichlorobenzene

1-(1-bromodecyl)-2,4-dichlorobenzene (PubChem CID 65427160) has the molecular formula C16H23BrCl2 and a molecular weight of 366.17 g/mol. Its IUPAC name is 1-(1-bromodecyl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(1-bromodecyl)-2,4-dichlorobenzene
PubChem CID65427160
Molecular FormulaC16H23BrCl2
Molecular Weight366.17 g/mol
Exact Mass364.04
IUPAC Name1-(1-bromodecyl)-2,4-dichlorobenzene
SMILESCCCCCCCCCC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23BrCl2/c1-2-3-4-5-6-7-8-9-15(17)14-11-10-13(18)12-16(14)19/h10-12,15H,2-9H2,1H3
InChIKeyGXTYGIQVKNWHCH-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.17
LogP ≤ 57.57
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

2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
7-(1-bromohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445012
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromodecyl)-2,4-dichlorobenzene?
The IUPAC name of 1-(1-bromodecyl)-2,4-dichlorobenzene (CID 65427160) is 1-(1-bromodecyl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(1-bromodecyl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(1-bromodecyl)-2,4-dichlorobenzene is CCCCCCCCCC(Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(1-bromodecyl)-2,4-dichlorobenzene?
The InChIKey is GXTYGIQVKNWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrCl2/c1-2-3-4-5-6-7-8-9-15(17)14-11-10-13(18)12-16(14)19/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-(1-bromodecyl)-2,4-dichlorobenzene?
1-(1-bromodecyl)-2,4-dichlorobenzene has a molecular weight of 366.17 g/mol, XLogP of 7.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromodecyl)-2,4-dichlorobenzene is sourced from PubChem (CID 65427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).