1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

C20H25Br — CID 63437609

IUPAC1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(C)c(C(Br)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C20H25Br/c1-11-8-9-12(2)18(10-11)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3
InChIKeyYDUWRMPJGJAMIM-UHFFFAOYSA-N
MW345.32 g/mol
LogP6.33
Rot. Bonds2

About 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63437609) has the molecular formula C20H25Br and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63437609
Molecular FormulaC20H25Br
Molecular Weight345.32 g/mol
Exact Mass344.11
IUPAC Name1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(C)c(C(Br)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C20H25Br/c1-11-8-9-12(2)18(10-11)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3
InChIKeyYDUWRMPJGJAMIM-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 56.33
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-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
2-[bromo-(2,5-dimethylphenyl)methyl]-3,5-dimethylthiophene
CID 81158563
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
CID 114033427
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 63437609) is 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1ccc(C)c(C(Br)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is YDUWRMPJGJAMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Br/c1-11-8-9-12(2)18(10-11)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3.
What are the key properties of 1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 345.32 g/mol, XLogP of 6.33, 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]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63437609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).