1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene

C17H25BrCl2 — CID 79453166

IUPAC1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
SMILESCCCCCCCCC(CCl)(CCl)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrCl2/c1-2-3-4-5-6-7-12-17(13-19,14-20)15-8-10-16(18)11-9-15/h8-11H,2-7,12-14H2,1H3
InChIKeyJXNIKOSKLVBBMH-UHFFFAOYSA-N
MW380.20 g/mol
LogP6.92
Rot. Bonds10

About 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene

1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene (PubChem CID 79453166) has the molecular formula C17H25BrCl2 and a molecular weight of 380.20 g/mol. Its IUPAC name is 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
PubChem CID79453166
Molecular FormulaC17H25BrCl2
Molecular Weight380.20 g/mol
Exact Mass378.05
IUPAC Name1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
SMILESCCCCCCCCC(CCl)(CCl)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrCl2/c1-2-3-4-5-6-7-12-17(13-19,14-20)15-8-10-16(18)11-9-15/h8-11H,2-7,12-14H2,1H3
InChIKeyJXNIKOSKLVBBMH-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.20
LogP ≤ 56.92
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-bromo-4-[1-chloro-2-(chloromethyl)nonan-2-yl]benzene
CID 79453845
1-bromo-4-[1-chloro-2-(chloromethyl)heptan-2-yl]benzene
CID 79453081
1-[1-chloro-2-(chloromethyl)heptan-2-yl]-4-methylbenzene
CID 79447900
1-bromo-4-[1-chloro-2-(chloromethyl)-5-methylsulfonylpentan-2-yl]benzene
CID 79453506
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
1-bromo-4-[4-tert-butylsulfanyl-1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 114271575
1-[1-chloro-2-(chloromethyl)octan-2-yl]-3-fluorobenzene
CID 79453317
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
1-bromo-4-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 106734886
5-butylhexadecan-5-ylbenzene
CID 173084700
1-[1-bromo-2-(bromomethyl)heptan-2-yl]-4-methylbenzene
CID 79455568
1-bromo-4-[1-chloro-2-(chloromethyl)-4-propan-2-ylsulfonylbutan-2-yl]benzene
CID 106734885

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene (CID 79453166) is 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene is CCCCCCCCC(CCl)(CCl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene?
The InChIKey is JXNIKOSKLVBBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrCl2/c1-2-3-4-5-6-7-12-17(13-19,14-20)15-8-10-16(18)11-9-15/h8-11H,2-7,12-14H2,1H3.
What are the key properties of 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene?
1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene has a molecular weight of 380.20 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene is sourced from PubChem (CID 79453166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).