2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol

C14H8Br4O — CID 45257698

IUPAC2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C14H8Br4O/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,19H/b2-1+
InChIKeyHNGXYIWLERIPAC-OWOJBTEDSA-N
MW511.83 g/mol
LogP6.61
Rot. Bonds2

About 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol

2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol (PubChem CID 45257698) has the molecular formula C14H8Br4O and a molecular weight of 511.83 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
PubChem CID45257698
Molecular FormulaC14H8Br4O
Molecular Weight511.83 g/mol
Exact Mass507.73
IUPAC Name2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C14H8Br4O/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,19H/b2-1+
InChIKeyHNGXYIWLERIPAC-OWOJBTEDSA-N
XLogP6.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.83
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol (CID 45257698) is 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol is Oc1c(Br)cc(/C=C/c2cc(Br)cc(Br)c2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol?
The InChIKey is HNGXYIWLERIPAC-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H8Br4O/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,19H/b2-1+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol has a molecular weight of 511.83 g/mol, XLogP of 6.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol is sourced from PubChem (CID 45257698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).