1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene

C15H22BrCl — CID 83168156

IUPAC1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene
SMILESCC(C)CCCC(CBr)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22BrCl/c1-12(2)4-3-5-14(11-16)10-13-6-8-15(17)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3
InChIKeyQBYCNQMTUGHWRT-UHFFFAOYSA-N
MW317.70 g/mol
LogP5.72
Rot. Bonds7

About 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene

1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene (PubChem CID 83168156) has the molecular formula C15H22BrCl and a molecular weight of 317.70 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene
PubChem CID83168156
Molecular FormulaC15H22BrCl
Molecular Weight317.70 g/mol
Exact Mass316.06
IUPAC Name1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene
SMILESCC(C)CCCC(CBr)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22BrCl/c1-12(2)4-3-5-14(11-16)10-13-6-8-15(17)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3
InChIKeyQBYCNQMTUGHWRT-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.70
LogP ≤ 55.72
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)-3-(4-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 66041082
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-4-iodobenzene
CID 66043094
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
1-[2-(bromomethyl)octyl]-4-methylbenzene
CID 66042675
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870696
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene (CID 83168156) is 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene is CC(C)CCCC(CBr)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene?
The InChIKey is QBYCNQMTUGHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrCl/c1-12(2)4-3-5-14(11-16)10-13-6-8-15(17)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene?
1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene has a molecular weight of 317.70 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene is sourced from PubChem (CID 83168156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).