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

C20H16Br2 — CID 147690466

IUPAC2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
SMILESCc1cccc(-c2ccccc2-c2cccc(C)c2Br)c1Br
InChIInChI=1S/C20H16Br2/c1-13-7-5-11-17(19(13)21)15-9-3-4-10-16(15)18-12-6-8-14(2)20(18)22/h3-12H,1-2H3
InChIKeyGQWKYMAYIAXLDC-UHFFFAOYSA-N
MW416.16 g/mol
LogP7.16
Rot. Bonds2

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

2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene (PubChem CID 147690466) has the molecular formula C20H16Br2 and a molecular weight of 416.16 g/mol. Its IUPAC name is 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
PubChem CID147690466
Molecular FormulaC20H16Br2
Molecular Weight416.16 g/mol
Exact Mass413.96
IUPAC Name2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
SMILESCc1cccc(-c2ccccc2-c2cccc(C)c2Br)c1Br
InChIInChI=1S/C20H16Br2/c1-13-7-5-11-17(19(13)21)15-9-3-4-10-16(15)18-12-6-8-14(2)20(18)22/h3-12H,1-2H3
InChIKeyGQWKYMAYIAXLDC-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.16
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene?
The IUPAC name of 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene (CID 147690466) is 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene.
What is the SMILES notation for 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene?
The canonical SMILES for 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene is Cc1cccc(-c2ccccc2-c2cccc(C)c2Br)c1Br.
What is the InChIKey of 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene?
The InChIKey is GQWKYMAYIAXLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2/c1-13-7-5-11-17(19(13)21)15-9-3-4-10-16(15)18-12-6-8-14(2)20(18)22/h3-12H,1-2H3.
What are the key properties of 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene?
2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene has a molecular weight of 416.16 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene is sourced from PubChem (CID 147690466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).