2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene

C17H18Br2 — CID 113396942

IUPAC2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)c2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C17H18Br2/c1-10-7-12(3)16(13(4)8-10)17(19)14-5-6-15(18)11(2)9-14/h5-9,17H,1-4H3
InChIKeyWGTLUSVKLNIJFG-UHFFFAOYSA-N
MW382.14 g/mol
LogP6.17
Rot. Bonds2

About 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene

2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 113396942) has the molecular formula C17H18Br2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID113396942
Molecular FormulaC17H18Br2
Molecular Weight382.14 g/mol
Exact Mass379.98
IUPAC Name2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)c2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C17H18Br2/c1-10-7-12(3)16(13(4)8-10)17(19)14-5-6-15(18)11(2)9-14/h5-9,17H,1-4H3
InChIKeyWGTLUSVKLNIJFG-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.17
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

2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
CID 63440169
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879999
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632
2-bromo-2-(4-bromo-3-methylphenyl)-N,N-dimethylethanamine
CID 90679723
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63438166
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
1-bromo-4-[bromo-(2,4,6-trimethylphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400116

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene (CID 113396942) is 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Br)c2ccc(Br)c(C)c2)c(C)c1.
What is the InChIKey of 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is WGTLUSVKLNIJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2/c1-10-7-12(3)16(13(4)8-10)17(19)14-5-6-15(18)11(2)9-14/h5-9,17H,1-4H3.
What are the key properties of 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene?
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 382.14 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 113396942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).