4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene

C17H18Br2 — CID 113319224

IUPAC4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)c2cccc(Br)c2)cc1CC
InChIInChI=1S/C17H18Br2/c1-3-12-8-9-15(10-13(12)4-2)17(19)14-6-5-7-16(18)11-14/h5-11,17H,3-4H2,1-2H3
InChIKeyUVPKJHRUEYJDGC-UHFFFAOYSA-N
MW382.14 g/mol
LogP6.06
Rot. Bonds4

About 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene

4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene (PubChem CID 113319224) has the molecular formula C17H18Br2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene.

Molecular Properties

Compound Name4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
PubChem CID113319224
Molecular FormulaC17H18Br2
Molecular Weight382.14 g/mol
Exact Mass379.98
IUPAC Name4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)c2cccc(Br)c2)cc1CC
InChIInChI=1S/C17H18Br2/c1-3-12-8-9-15(10-13(12)4-2)17(19)14-6-5-7-16(18)11-14/h5-11,17H,3-4H2,1-2H3
InChIKeyUVPKJHRUEYJDGC-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.06
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-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
1-bromo-3-[bromo-(3,4-diethylphenyl)methyl]-5-fluorobenzene
CID 115482935
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
2-bromo-1-[bromo-(3,4-diethylphenyl)methyl]-3-fluorobenzene
CID 115482974
4-[bromo-(4-iodophenyl)methyl]-1,2-diethylbenzene
CID 113319229
1-bromo-4-[bromo-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115483032
4-[bromo-(4-methoxyphenyl)methyl]-1,2-diethylbenzene
CID 115483026
2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
CID 115483045
4-[bromo-(2-iodophenyl)methyl]-1,2-diethylbenzene
CID 115482992
4-[bromo-(2-methylsulfanylphenyl)methyl]-1,2-diethylbenzene
CID 115483069
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79746903
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene?
The IUPAC name of 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene (CID 113319224) is 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene.
What is the SMILES notation for 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene?
The canonical SMILES for 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene is CCc1ccc(C(Br)c2cccc(Br)c2)cc1CC.
What is the InChIKey of 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene?
The InChIKey is UVPKJHRUEYJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2/c1-3-12-8-9-15(10-13(12)4-2)17(19)14-6-5-7-16(18)11-14/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene?
4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene has a molecular weight of 382.14 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene is sourced from PubChem (CID 113319224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).