4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene

C20H25Br — CID 115483070

IUPAC4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
SMILESCCc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1CC
InChIInChI=1S/C20H25Br/c1-5-17-9-10-19(13-18(17)6-2)20(21)12-16-8-7-14(3)15(4)11-16/h7-11,13,20H,5-6,12H2,1-4H3
InChIKeyAYLFXEDWURFAKZ-UHFFFAOYSA-N
MW345.32 g/mol
LogP6.11
Rot. Bonds5

About 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene

4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene (PubChem CID 115483070) has the molecular formula C20H25Br and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
PubChem CID115483070
Molecular FormulaC20H25Br
Molecular Weight345.32 g/mol
Exact Mass344.11
IUPAC Name4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
SMILESCCc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1CC
InChIInChI=1S/C20H25Br/c1-5-17-9-10-19(13-18(17)6-2)20(21)12-16-8-7-14(3)15(4)11-16/h7-11,13,20H,5-6,12H2,1-4H3
InChIKeyAYLFXEDWURFAKZ-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 56.11
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

4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
4-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63439211
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396021
5-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63443045
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene (CID 115483070) is 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene is CCc1ccc(C(Br)Cc2ccc(C)c(C)c2)cc1CC.
What is the InChIKey of 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is AYLFXEDWURFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Br/c1-5-17-9-10-19(13-18(17)6-2)20(21)12-16-8-7-14(3)15(4)11-16/h7-11,13,20H,5-6,12H2,1-4H3.
What are the key properties of 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene?
4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 345.32 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 115483070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).