1,5-dibromo-2-methyl-4-propylbenzene

C10H12Br2 — CID 91476014

IUPAC1,5-dibromo-2-methyl-4-propylbenzene
SMILESCCCc1cc(C)c(Br)cc1Br
InChIInChI=1S/C10H12Br2/c1-3-4-8-5-7(2)9(11)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyHBDDIBIEAFVTGK-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.47
Rot. Bonds2

About 1,5-dibromo-2-methyl-4-propylbenzene

1,5-dibromo-2-methyl-4-propylbenzene (PubChem CID 91476014) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 1,5-dibromo-2-methyl-4-propylbenzene.

Molecular Properties

Compound Name1,5-dibromo-2-methyl-4-propylbenzene
PubChem CID91476014
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name1,5-dibromo-2-methyl-4-propylbenzene
SMILESCCCc1cc(C)c(Br)cc1Br
InChIInChI=1S/C10H12Br2/c1-3-4-8-5-7(2)9(11)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyHBDDIBIEAFVTGK-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-methyl-4-propylbenzene?
The IUPAC name of 1,5-dibromo-2-methyl-4-propylbenzene (CID 91476014) is 1,5-dibromo-2-methyl-4-propylbenzene.
What is the SMILES notation for 1,5-dibromo-2-methyl-4-propylbenzene?
The canonical SMILES for 1,5-dibromo-2-methyl-4-propylbenzene is CCCc1cc(C)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2-methyl-4-propylbenzene?
The InChIKey is HBDDIBIEAFVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-3-4-8-5-7(2)9(11)6-10(8)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,5-dibromo-2-methyl-4-propylbenzene?
1,5-dibromo-2-methyl-4-propylbenzene has a molecular weight of 292.01 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-methyl-4-propylbenzene is sourced from PubChem (CID 91476014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).