1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene

C11H9Br3O — CID 56623073

IUPAC1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene
SMILESBrc1cc(Br)c(OC2=CCCC2)c(Br)c1
InChIInChI=1S/C11H9Br3O/c12-7-5-9(13)11(10(14)6-7)15-8-3-1-2-4-8/h3,5-6H,1-2,4H2
InChIKeyGWEJSJNHOMUTDP-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.42
Rot. Bonds2

About 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene

1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene (PubChem CID 56623073) has the molecular formula C11H9Br3O and a molecular weight of 396.90 g/mol. Its IUPAC name is 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene
PubChem CID56623073
Molecular FormulaC11H9Br3O
Molecular Weight396.90 g/mol
Exact Mass393.82
IUPAC Name1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene
SMILESBrc1cc(Br)c(OC2=CCCC2)c(Br)c1
InChIInChI=1S/C11H9Br3O/c12-7-5-9(13)11(10(14)6-7)15-8-3-1-2-4-8/h3,5-6H,1-2,4H2
InChIKeyGWEJSJNHOMUTDP-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene?
The IUPAC name of 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene (CID 56623073) is 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene.
What is the SMILES notation for 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene?
The canonical SMILES for 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene is Brc1cc(Br)c(OC2=CCCC2)c(Br)c1.
What is the InChIKey of 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene?
The InChIKey is GWEJSJNHOMUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br3O/c12-7-5-9(13)11(10(14)6-7)15-8-3-1-2-4-8/h3,5-6H,1-2,4H2.
What are the key properties of 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene?
1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene has a molecular weight of 396.90 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene is sourced from PubChem (CID 56623073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).