2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene

C16H17Br — CID 58251606

IUPAC2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene
SMILESCCc1ccc(Br)cc1-c1cc(C)ccc1C
InChIInChI=1S/C16H17Br/c1-4-13-7-8-14(17)10-16(13)15-9-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyPTZKYJUIAWKEPS-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.30
Rot. Bonds2

About 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene

2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene (PubChem CID 58251606) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene
PubChem CID58251606
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene
SMILESCCc1ccc(Br)cc1-c1cc(C)ccc1C
InChIInChI=1S/C16H17Br/c1-4-13-7-8-14(17)10-16(13)15-9-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyPTZKYJUIAWKEPS-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene (CID 58251606) is 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene is CCc1ccc(Br)cc1-c1cc(C)ccc1C.
What is the InChIKey of 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene?
The InChIKey is PTZKYJUIAWKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-4-13-7-8-14(17)10-16(13)15-9-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene?
2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene has a molecular weight of 289.22 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene is sourced from PubChem (CID 58251606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).