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

C14H8Br2F2O — CID 45257590

IUPAC2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2c(F)cccc2F)cc1Br
InChIInChI=1S/C14H8Br2F2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+
InChIKeyPQZRHBACXSNZCB-SNAWJCMRSA-N
MW390.02 g/mol
LogP5.37
Rot. Bonds2

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

2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol (PubChem CID 45257590) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol
PubChem CID45257590
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2c(F)cccc2F)cc1Br
InChIInChI=1S/C14H8Br2F2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+
InChIKeyPQZRHBACXSNZCB-SNAWJCMRSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.02
LogP ≤ 55.37
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-(2,6-difluorophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol (CID 45257590) is 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol is Oc1c(Br)cc(/C=C/c2c(F)cccc2F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol?
The InChIKey is PQZRHBACXSNZCB-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol has a molecular weight of 390.02 g/mol, XLogP of 5.37, 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-(2,6-difluorophenyl)ethenyl]phenol is sourced from PubChem (CID 45257590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).