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

C18H20Br2 — CID 115482941

IUPAC4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)Cc2cccc(Br)c2)cc1CC
InChIInChI=1S/C18H20Br2/c1-3-14-8-9-16(12-15(14)4-2)18(20)11-13-6-5-7-17(19)10-13/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyBPYNMBFCRNJGOZ-UHFFFAOYSA-N
MW396.17 g/mol
LogP6.25
Rot. Bonds5

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

4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene (PubChem CID 115482941) has the molecular formula C18H20Br2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
PubChem CID115482941
Molecular FormulaC18H20Br2
Molecular Weight396.17 g/mol
Exact Mass393.99
IUPAC Name4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)Cc2cccc(Br)c2)cc1CC
InChIInChI=1S/C18H20Br2/c1-3-14-8-9-16(12-15(14)4-2)18(20)11-13-6-5-7-17(19)10-13/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyBPYNMBFCRNJGOZ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.17
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319224
4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115483070
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669
4-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
6-[1-bromo-2-(3-bromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63438440
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
7-[1-bromo-2-(3-bromophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437541
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
1-bromo-3-ethylbenzene;ethane
CID 143778556

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene?
The IUPAC name of 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene (CID 115482941) is 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene.
What is the SMILES notation for 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene?
The canonical SMILES for 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene is CCc1ccc(C(Br)Cc2cccc(Br)c2)cc1CC.
What is the InChIKey of 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene?
The InChIKey is BPYNMBFCRNJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2/c1-3-14-8-9-16(12-15(14)4-2)18(20)11-13-6-5-7-17(19)10-13/h5-10,12,18H,3-4,11H2,1-2H3.
What are the key properties of 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene?
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene has a molecular weight of 396.17 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene is sourced from PubChem (CID 115482941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).