2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene

C16H16Br2 — CID 114024046

IUPAC2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
SMILESCc1ccccc1CC(Br)c1cccc(C)c1Br
InChIInChI=1S/C16H16Br2/c1-11-6-3-4-8-13(11)10-15(17)14-9-5-7-12(2)16(14)18/h3-9,15H,10H2,1-2H3
InChIKeyKECHUMYKRJWTPU-UHFFFAOYSA-N
MW368.11 g/mol
LogP5.74
Rot. Bonds3

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

2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene (PubChem CID 114024046) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
PubChem CID114024046
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
SMILESCc1ccccc1CC(Br)c1cccc(C)c1Br
InChIInChI=1S/C16H16Br2/c1-11-6-3-4-8-13(11)10-15(17)14-9-5-7-12(2)16(14)18/h3-9,15H,10H2,1-2H3
InChIKeyKECHUMYKRJWTPU-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 55.74
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

1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
CID 63544130
1-[1-bromo-2-(2-methylphenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63544372
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63447544
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029621
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
1-[1-bromo-2-(2-methylphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63544543
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107982814
1,2-bis(2-methylphenyl)ethanol
CID 60798292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene?
The IUPAC name of 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene (CID 114024046) is 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene.
What is the SMILES notation for 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene?
The canonical SMILES for 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene is Cc1ccccc1CC(Br)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene?
The InChIKey is KECHUMYKRJWTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-11-6-3-4-8-13(11)10-15(17)14-9-5-7-12(2)16(14)18/h3-9,15H,10H2,1-2H3.
What are the key properties of 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene?
2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene has a molecular weight of 368.11 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene is sourced from PubChem (CID 114024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).