4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene

C18H20Br2 — CID 63436054

IUPAC4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
SMILESCc1cc(Br)ccc1C(Br)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H20Br2/c1-12(2)10-14-4-6-15(7-5-14)18(20)17-9-8-16(19)11-13(17)3/h4-9,11-12,18H,10H2,1-3H3
InChIKeyWNOVMLLUMHUOKP-UHFFFAOYSA-N
MW396.17 g/mol
LogP6.44
Rot. Bonds4

About 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene

4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene (PubChem CID 63436054) has the molecular formula C18H20Br2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
PubChem CID63436054
Molecular FormulaC18H20Br2
Molecular Weight396.17 g/mol
Exact Mass393.99
IUPAC Name4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
SMILESCc1cc(Br)ccc1C(Br)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H20Br2/c1-12(2)10-14-4-6-15(7-5-14)18(20)17-9-8-16(19)11-13(17)3/h4-9,11-12,18H,10H2,1-3H3
InChIKeyWNOVMLLUMHUOKP-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.17
LogP ≤ 56.44
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-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43805207
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
CID 66455489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene?
The IUPAC name of 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene (CID 63436054) is 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene?
The canonical SMILES for 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene is Cc1cc(Br)ccc1C(Br)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene?
The InChIKey is WNOVMLLUMHUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2/c1-12(2)10-14-4-6-15(7-5-14)18(20)17-9-8-16(19)11-13(17)3/h4-9,11-12,18H,10H2,1-3H3.
What are the key properties of 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene?
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene has a molecular weight of 396.17 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene is sourced from PubChem (CID 63436054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).