1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene

C15H23Br — CID 66040938

IUPAC1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
SMILESCc1ccccc1CC(CBr)CCC(C)C
InChIInChI=1S/C15H23Br/c1-12(2)8-9-14(11-16)10-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3
InChIKeyRZBVTECDHDSNMG-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.98
Rot. Bonds6

About 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene

1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene (PubChem CID 66040938) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
PubChem CID66040938
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
SMILESCc1ccccc1CC(CBr)CCC(C)C
InChIInChI=1S/C15H23Br/c1-12(2)8-9-14(11-16)10-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3
InChIKeyRZBVTECDHDSNMG-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 54.98
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

1-[2-(bromomethyl)-4-phenoxybutyl]-2-methylbenzene
CID 66043142
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
CID 66041741
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methylbenzene
CID 66041139
1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
1-bromo-2-[2-(bromomethyl)-4-(3-methylbutoxy)butyl]benzene
CID 66042556
4-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,2-difluorobenzene
CID 82935081
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
CID 103142686
1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
CID 79418529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene (CID 66040938) is 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene is Cc1ccccc1CC(CBr)CCC(C)C.
What is the InChIKey of 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene?
The InChIKey is RZBVTECDHDSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-12(2)8-9-14(11-16)10-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene?
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene has a molecular weight of 283.25 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene is sourced from PubChem (CID 66040938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).