2-bromo-1,3,5-trimethyl-4-phenylbenzene

C15H15Br — CID 59609431

IUPAC2-bromo-1,3,5-trimethyl-4-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C15H15Br/c1-10-9-11(2)15(16)12(3)14(10)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyOEXKAEBJYKSUBX-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.04
Rot. Bonds1

About 2-bromo-1,3,5-trimethyl-4-phenylbenzene

2-bromo-1,3,5-trimethyl-4-phenylbenzene (PubChem CID 59609431) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-bromo-1,3,5-trimethyl-4-phenylbenzene.

Molecular Properties

Compound Name2-bromo-1,3,5-trimethyl-4-phenylbenzene
PubChem CID59609431
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name2-bromo-1,3,5-trimethyl-4-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C15H15Br/c1-10-9-11(2)15(16)12(3)14(10)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyOEXKAEBJYKSUBX-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,5-trimethyl-4-phenylbenzene?
The IUPAC name of 2-bromo-1,3,5-trimethyl-4-phenylbenzene (CID 59609431) is 2-bromo-1,3,5-trimethyl-4-phenylbenzene.
What is the SMILES notation for 2-bromo-1,3,5-trimethyl-4-phenylbenzene?
The canonical SMILES for 2-bromo-1,3,5-trimethyl-4-phenylbenzene is Cc1cc(C)c(-c2ccccc2)c(C)c1Br.
What is the InChIKey of 2-bromo-1,3,5-trimethyl-4-phenylbenzene?
The InChIKey is OEXKAEBJYKSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-10-9-11(2)15(16)12(3)14(10)13-7-5-4-6-8-13/h4-9H,1-3H3.
What are the key properties of 2-bromo-1,3,5-trimethyl-4-phenylbenzene?
2-bromo-1,3,5-trimethyl-4-phenylbenzene has a molecular weight of 275.19 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,5-trimethyl-4-phenylbenzene is sourced from PubChem (CID 59609431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).