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

C18H20Br2 — CID 107983519

IUPAC3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cccc(C)c2Br)c1C
InChIInChI=1S/C18H20Br2/c1-10-7-6-8-15(17(10)19)18(20)16-13(4)11(2)9-12(3)14(16)5/h6-9,18H,1-5H3
InChIKeyFQZRJYMTVXBPFE-UHFFFAOYSA-N
MW396.17 g/mol
LogP6.48
Rot. Bonds2

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

3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 107983519) has the molecular formula C18H20Br2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID107983519
Molecular FormulaC18H20Br2
Molecular Weight396.17 g/mol
Exact Mass393.99
IUPAC Name3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Br)c2cccc(C)c2Br)c1C
InChIInChI=1S/C18H20Br2/c1-10-7-6-8-15(17(10)19)18(20)16-13(4)11(2)9-12(3)14(16)5/h6-9,18H,1-5H3
InChIKeyFQZRJYMTVXBPFE-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.17
LogP ≤ 56.48
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

3-[(2-bromo-3-methylphenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107983453
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]-2-methylfuran
CID 63442086
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
2-bromo-1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-methylbenzene
CID 114023996
2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983493
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980891
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
1-[bromo-(2-bromo-3-methylphenyl)methyl]-2,5-dichloro-4-ethoxybenzene
CID 107983627

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 107983519) is 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Br)c2cccc(C)c2Br)c1C.
What is the InChIKey of 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is FQZRJYMTVXBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2/c1-10-7-6-8-15(17(10)19)18(20)16-13(4)11(2)9-12(3)14(16)5/h6-9,18H,1-5H3.
What are the key properties of 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 396.17 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 107983519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).