2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene

C17H18Br2O — CID 63435707

IUPAC2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C17H18Br2O/c1-11-4-5-13(8-12(11)2)9-15(18)14-6-7-17(20-3)16(19)10-14/h4-8,10,15H,9H2,1-3H3
InChIKeyYLIAHJLRPPHDKS-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.75
Rot. Bonds4

About 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene

2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene (PubChem CID 63435707) has the molecular formula C17H18Br2O and a molecular weight of 398.14 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
PubChem CID63435707
Molecular FormulaC17H18Br2O
Molecular Weight398.14 g/mol
Exact Mass395.97
IUPAC Name2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C17H18Br2O/c1-11-4-5-13(8-12(11)2)9-15(18)14-6-7-17(20-3)16(19)10-14/h4-8,10,15H,9H2,1-3H3
InChIKeyYLIAHJLRPPHDKS-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63439211
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115483070
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene (CID 63435707) is 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene is COc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene?
The InChIKey is YLIAHJLRPPHDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O/c1-11-4-5-13(8-12(11)2)9-15(18)14-6-7-17(20-3)16(19)10-14/h4-8,10,15H,9H2,1-3H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene?
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene has a molecular weight of 398.14 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63435707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).