1,5-dibromo-2,4-bis(prop-1-enyl)benzene

C12H12Br2 — CID 138976550

IUPAC1,5-dibromo-2,4-bis(prop-1-enyl)benzene
SMILESCC=Cc1cc(C=CC)c(Br)cc1Br
InChIInChI=1S/C12H12Br2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h3-8H,1-2H3
InChIKeyOPLZEFFOMUAVCT-UHFFFAOYSA-N
MW316.04 g/mol
LogP5.28
Rot. Bonds2

About 1,5-dibromo-2,4-bis(prop-1-enyl)benzene

1,5-dibromo-2,4-bis(prop-1-enyl)benzene (PubChem CID 138976550) has the molecular formula C12H12Br2 and a molecular weight of 316.04 g/mol. Its IUPAC name is 1,5-dibromo-2,4-bis(prop-1-enyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-2,4-bis(prop-1-enyl)benzene
PubChem CID138976550
Molecular FormulaC12H12Br2
Molecular Weight316.04 g/mol
Exact Mass313.93
IUPAC Name1,5-dibromo-2,4-bis(prop-1-enyl)benzene
SMILESCC=Cc1cc(C=CC)c(Br)cc1Br
InChIInChI=1S/C12H12Br2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h3-8H,1-2H3
InChIKeyOPLZEFFOMUAVCT-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.04
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,4-bis(prop-1-enyl)benzene?
The IUPAC name of 1,5-dibromo-2,4-bis(prop-1-enyl)benzene (CID 138976550) is 1,5-dibromo-2,4-bis(prop-1-enyl)benzene.
What is the SMILES notation for 1,5-dibromo-2,4-bis(prop-1-enyl)benzene?
The canonical SMILES for 1,5-dibromo-2,4-bis(prop-1-enyl)benzene is CC=Cc1cc(C=CC)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2,4-bis(prop-1-enyl)benzene?
The InChIKey is OPLZEFFOMUAVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h3-8H,1-2H3.
What are the key properties of 1,5-dibromo-2,4-bis(prop-1-enyl)benzene?
1,5-dibromo-2,4-bis(prop-1-enyl)benzene has a molecular weight of 316.04 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,4-bis(prop-1-enyl)benzene is sourced from PubChem (CID 138976550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).