2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene

C17H18Br2O — CID 104661726

IUPAC2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Br)Cc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18Br2O/c1-3-20-17-8-7-14(11-16(17)19)15(18)10-13-6-4-5-12(2)9-13/h4-9,11,15H,3,10H2,1-2H3
InChIKeyDAIPWVFJSIKFKZ-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.83
Rot. Bonds5

About 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene

2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene (PubChem CID 104661726) 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-methylphenyl)ethyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
PubChem CID104661726
Molecular FormulaC17H18Br2O
Molecular Weight398.14 g/mol
Exact Mass395.97
IUPAC Name2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Br)Cc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18Br2O/c1-3-20-17-8-7-14(11-16(17)19)15(18)10-13-6-4-5-12(2)9-13/h4-9,11,15H,3,10H2,1-2H3
InChIKeyDAIPWVFJSIKFKZ-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.83
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

2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene
CID 104661676
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661522
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
1-[1-bromo-2-(3-methylphenyl)ethyl]-4-propylbenzene
CID 63440555
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene (CID 104661726) is 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene is CCOc1ccc(C(Br)Cc2cccc(C)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene?
The InChIKey is DAIPWVFJSIKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O/c1-3-20-17-8-7-14(11-16(17)19)15(18)10-13-6-4-5-12(2)9-13/h4-9,11,15H,3,10H2,1-2H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene?
2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene has a molecular weight of 398.14 g/mol, XLogP of 5.83, 5 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-methylphenyl)ethyl]-1-ethoxybenzene is sourced from PubChem (CID 104661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).