1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene

C15H21Br2Cl — CID 83169386

IUPAC1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
SMILESCC(C)CCCC(CBr)(CBr)c1cccc(Cl)c1
InChIInChI=1S/C15H21Br2Cl/c1-12(2)5-4-8-15(10-16,11-17)13-6-3-7-14(18)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyVQOGLRCQPOGVIU-UHFFFAOYSA-N
MW396.59 g/mol
LogP6.19
Rot. Bonds7

About 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene

1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene (PubChem CID 83169386) has the molecular formula C15H21Br2Cl and a molecular weight of 396.59 g/mol. Its IUPAC name is 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
PubChem CID83169386
Molecular FormulaC15H21Br2Cl
Molecular Weight396.59 g/mol
Exact Mass393.97
IUPAC Name1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
SMILESCC(C)CCCC(CBr)(CBr)c1cccc(Cl)c1
InChIInChI=1S/C15H21Br2Cl/c1-12(2)5-4-8-15(10-16,11-17)13-6-3-7-14(18)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyVQOGLRCQPOGVIU-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 56.19
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-[1-bromo-2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-yl]-3-chlorobenzene
CID 79446848
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene
CID 83169137
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
CID 103985355
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
1-[1-bromo-2-(bromomethyl)hexan-2-yl]-3-methylbenzene
CID 79456306
2-(3-chlorophenyl)-2-(3-methylsulfanylpropyl)propane-1,3-diol
CID 113474741
1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
CID 10960134
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
CID 79456321
3-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 82881876
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol
CID 21406926
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene?
The IUPAC name of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene (CID 83169386) is 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene is CC(C)CCCC(CBr)(CBr)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene?
The InChIKey is VQOGLRCQPOGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2Cl/c1-12(2)5-4-8-15(10-16,11-17)13-6-3-7-14(18)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene?
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene has a molecular weight of 396.59 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene is sourced from PubChem (CID 83169386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).