2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol

C14H9Br2FO — CID 45257478

IUPAC2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2F)cc1Br
InChIInChI=1S/C14H9Br2FO/c15-11-7-9(8-12(16)14(11)18)5-6-10-3-1-2-4-13(10)17/h1-8,18H/b6-5+
InChIKeyQIPKQSWBNPLASD-AATRIKPKSA-N
MW372.03 g/mol
LogP5.23
Rot. Bonds2

About 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol

2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol (PubChem CID 45257478) has the molecular formula C14H9Br2FO and a molecular weight of 372.03 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol
PubChem CID45257478
Molecular FormulaC14H9Br2FO
Molecular Weight372.03 g/mol
Exact Mass369.90
IUPAC Name2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2F)cc1Br
InChIInChI=1S/C14H9Br2FO/c15-11-7-9(8-12(16)14(11)18)5-6-10-3-1-2-4-13(10)17/h1-8,18H/b6-5+
InChIKeyQIPKQSWBNPLASD-AATRIKPKSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.03
LogP ≤ 55.23
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-(2-fluorophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol (CID 45257478) is 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol is Oc1c(Br)cc(/C=C/c2ccccc2F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol?
The InChIKey is QIPKQSWBNPLASD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9Br2FO/c15-11-7-9(8-12(16)14(11)18)5-6-10-3-1-2-4-13(10)17/h1-8,18H/b6-5+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol has a molecular weight of 372.03 g/mol, XLogP of 5.23, 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-(2-fluorophenyl)ethenyl]phenol is sourced from PubChem (CID 45257478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).