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

C15H10Br2F2O2 — CID 45258033

IUPAC2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C15H10Br2F2O2/c16-11-7-9(8-12(17)14(11)20)5-6-10-3-1-2-4-13(10)21-15(18)19/h1-8,15,20H/b6-5+
InChIKeyVCERWMUNTRQZRX-AATRIKPKSA-N
MW420.05 g/mol
LogP5.69
Rot. Bonds4

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

2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol (PubChem CID 45258033) has the molecular formula C15H10Br2F2O2 and a molecular weight of 420.05 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol
PubChem CID45258033
Molecular FormulaC15H10Br2F2O2
Molecular Weight420.05 g/mol
Exact Mass417.90
IUPAC Name2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C15H10Br2F2O2/c16-11-7-9(8-12(17)14(11)20)5-6-10-3-1-2-4-13(10)21-15(18)19/h1-8,15,20H/b6-5+
InChIKeyVCERWMUNTRQZRX-AATRIKPKSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.05
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol
CID 45257478
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
(E)-N-(2,4-dibromophenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16591585
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
2-(2,5-dibromophenyl)sulfonyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 5214655
3-[2-(difluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169455478
2,6-dibromo-4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenol
CID 45257590
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
2,6-dibromo-4-[2-(4-bromophenyl)ethenyl]phenol
CID 75104079
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
CID 103091591
2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
CID 45257698
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-1,4-diazepane-1-carboxamide
CID 72684452

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol (CID 45258033) is 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol is Oc1c(Br)cc(/C=C/c2ccccc2OC(F)F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol?
The InChIKey is VCERWMUNTRQZRX-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10Br2F2O2/c16-11-7-9(8-12(17)14(11)20)5-6-10-3-1-2-4-13(10)21-15(18)19/h1-8,15,20H/b6-5+.
What are the key properties of 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol?
2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol has a molecular weight of 420.05 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 45258033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).