1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene

C17H19Br — CID 63442341

IUPAC1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)c2cccc(C)c2C)c1
InChIInChI=1S/C17H19Br/c1-11-8-9-13(3)16(10-11)17(18)15-7-5-6-12(2)14(15)4/h5-10,17H,1-4H3
InChIKeyYATGTYDTZVKZIM-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.40
Rot. Bonds2

About 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene

1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene (PubChem CID 63442341) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
PubChem CID63442341
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)c2cccc(C)c2C)c1
InChIInChI=1S/C17H19Br/c1-11-8-9-13(3)16(10-11)17(18)15-7-5-6-12(2)14(15)4/h5-10,17H,1-4H3
InChIKeyYATGTYDTZVKZIM-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.40
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-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609
1-[bromo-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443435
1-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
CID 114033427
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;ethane;methane
CID 160607866
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene (CID 63442341) is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene is Cc1ccc(C)c(C(Br)c2cccc(C)c2C)c1.
What is the InChIKey of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is YATGTYDTZVKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-11-8-9-13(3)16(10-11)17(18)15-7-5-6-12(2)14(15)4/h5-10,17H,1-4H3.
What are the key properties of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene?
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 303.24 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63442341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).