1-(10-bromodecyl)-4-chlorobenzene

C16H24BrCl — CID 10782757

IUPAC1-(10-bromodecyl)-4-chlorobenzene
SMILESClc1ccc(CCCCCCCCCCBr)cc1
InChIInChI=1S/C16H24BrCl/c17-14-8-6-4-2-1-3-5-7-9-15-10-12-16(18)13-11-15/h10-13H,1-9,14H2
InChIKeyVGSGRYITFDMYRL-UHFFFAOYSA-N
MW331.72 g/mol
LogP6.40
Rot. Bonds10

About 1-(10-bromodecyl)-4-chlorobenzene

1-(10-bromodecyl)-4-chlorobenzene (PubChem CID 10782757) has the molecular formula C16H24BrCl and a molecular weight of 331.72 g/mol. Its IUPAC name is 1-(10-bromodecyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(10-bromodecyl)-4-chlorobenzene
PubChem CID10782757
Molecular FormulaC16H24BrCl
Molecular Weight331.72 g/mol
Exact Mass330.07
IUPAC Name1-(10-bromodecyl)-4-chlorobenzene
SMILESClc1ccc(CCCCCCCCCCBr)cc1
InChIInChI=1S/C16H24BrCl/c17-14-8-6-4-2-1-3-5-7-9-15-10-12-16(18)13-11-15/h10-13H,1-9,14H2
InChIKeyVGSGRYITFDMYRL-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.72
LogP ≤ 56.40
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

1,4-bis(8-bromooctyl)benzene
CID 19907449
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
4-(6-bromohexyl)pyridine
CID 10633887
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
trichloro-[4-(4-chlorophenyl)butyl]silane
CID 69458411
1-(4-bromobutyl)-4-[chloro(difluoro)methyl]benzene
CID 22913828
2-bromo-4-(4-bromobutyl)-1-fluorobenzene
CID 64506679
1-(4-bromobutylsulfanylmethyl)-4-chlorobenzene
CID 114790074
lithium;4-bromobutylbenzene;hydride
CID 175042628
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244
1-(2-bromoethyl)-4-decylbenzene
CID 70453406

Frequently Asked Questions

What is the IUPAC name of 1-(10-bromodecyl)-4-chlorobenzene?
The IUPAC name of 1-(10-bromodecyl)-4-chlorobenzene (CID 10782757) is 1-(10-bromodecyl)-4-chlorobenzene.
What is the SMILES notation for 1-(10-bromodecyl)-4-chlorobenzene?
The canonical SMILES for 1-(10-bromodecyl)-4-chlorobenzene is Clc1ccc(CCCCCCCCCCBr)cc1.
What is the InChIKey of 1-(10-bromodecyl)-4-chlorobenzene?
The InChIKey is VGSGRYITFDMYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrCl/c17-14-8-6-4-2-1-3-5-7-9-15-10-12-16(18)13-11-15/h10-13H,1-9,14H2.
What are the key properties of 1-(10-bromodecyl)-4-chlorobenzene?
1-(10-bromodecyl)-4-chlorobenzene has a molecular weight of 331.72 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromodecyl)-4-chlorobenzene is sourced from PubChem (CID 10782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).