4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene

C12H15BrCl2 — CID 63529593

IUPAC4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
SMILESCCC(C)C(Br)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15BrCl2/c1-3-8(2)10(13)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyXCSUUDKAECUGRY-UHFFFAOYSA-N
MW310.06 g/mol
LogP5.35
Rot. Bonds4

About 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene

4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene (PubChem CID 63529593) has the molecular formula C12H15BrCl2 and a molecular weight of 310.06 g/mol. Its IUPAC name is 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
PubChem CID63529593
Molecular FormulaC12H15BrCl2
Molecular Weight310.06 g/mol
Exact Mass307.97
IUPAC Name4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
SMILESCCC(C)C(Br)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15BrCl2/c1-3-8(2)10(13)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyXCSUUDKAECUGRY-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.06
LogP ≤ 55.35
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

4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
2-bromo-1-(3,4-dichlorophenyl)hexan-3-one
CID 62394460
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene?
The IUPAC name of 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene (CID 63529593) is 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene is CCC(C)C(Br)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene?
The InChIKey is XCSUUDKAECUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2/c1-3-8(2)10(13)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene?
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene has a molecular weight of 310.06 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene is sourced from PubChem (CID 63529593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).