1-bromo-2-(4-methylphenyl)benzene;ethane

C15H17Br — CID 144848259

IUPAC1-bromo-2-(4-methylphenyl)benzene;ethane
SMILESCC.Cc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C13H11Br.C2H6/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-2/h2-9H,1H3;1-2H3
InChIKeyMYUXLVUAUZCDKJ-UHFFFAOYSA-N
MW277.21 g/mol
LogP5.45
Rot. Bonds1

About 1-bromo-2-(4-methylphenyl)benzene;ethane

1-bromo-2-(4-methylphenyl)benzene;ethane (PubChem CID 144848259) has the molecular formula C15H17Br and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-bromo-2-(4-methylphenyl)benzene;ethane.

Molecular Properties

Compound Name1-bromo-2-(4-methylphenyl)benzene;ethane
PubChem CID144848259
Molecular FormulaC15H17Br
Molecular Weight277.21 g/mol
Exact Mass276.05
IUPAC Name1-bromo-2-(4-methylphenyl)benzene;ethane
SMILESCC.Cc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C13H11Br.C2H6/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-2/h2-9H,1H3;1-2H3
InChIKeyMYUXLVUAUZCDKJ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.21
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-methylphenyl)benzene;ethane?
The IUPAC name of 1-bromo-2-(4-methylphenyl)benzene;ethane (CID 144848259) is 1-bromo-2-(4-methylphenyl)benzene;ethane.
What is the SMILES notation for 1-bromo-2-(4-methylphenyl)benzene;ethane?
The canonical SMILES for 1-bromo-2-(4-methylphenyl)benzene;ethane is CC.Cc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-(4-methylphenyl)benzene;ethane?
The InChIKey is MYUXLVUAUZCDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br.C2H6/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-2/h2-9H,1H3;1-2H3.
What are the key properties of 1-bromo-2-(4-methylphenyl)benzene;ethane?
1-bromo-2-(4-methylphenyl)benzene;ethane has a molecular weight of 277.21 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-methylphenyl)benzene;ethane is sourced from PubChem (CID 144848259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).