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

C14H9Br3O — CID 45257598

IUPAC2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br3O/c15-11-3-1-2-9(6-11)4-5-10-7-12(16)14(18)13(17)8-10/h1-8,18H/b5-4+
InChIKeyXYQUGENJOIENSV-SNAWJCMRSA-N
MW432.94 g/mol
LogP5.85
Rot. Bonds2

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

2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol (PubChem CID 45257598) has the molecular formula C14H9Br3O and a molecular weight of 432.94 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol
PubChem CID45257598
Molecular FormulaC14H9Br3O
Molecular Weight432.94 g/mol
Exact Mass429.82
IUPAC Name2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br3O/c15-11-3-1-2-9(6-11)4-5-10-7-12(16)14(18)13(17)8-10/h1-8,18H/b5-4+
InChIKeyXYQUGENJOIENSV-SNAWJCMRSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bromoxynil
CID 15531
Tetrabromobisphenol A
CID 6618
Tribromobisphenol A
CID 80801
p-Cresol, 2,6-dibromo-
CID 17078
2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl
CID 30891
2-Bromo-4-methylphenol
CID 23109
2,6-Dibromo-4-phenylphenol
CID 243556
2-Bromo-4-phenylphenol
CID 27297
4,4',6-Tribromo-2,2'-Biphenol
CID 50899959
(Trans,trans)-1-bromo-2,5-bis(4-hydroxystyryl)benzene
CID 44828481
2-Bromo-4-tert-butylphenol
CID 75147
4-Bromo-4'-hydroxybiphenyl
CID 95093

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol (CID 45257598) is 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol is Oc1c(Br)cc(/C=C/c2cccc(Br)c2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol?
The InChIKey is XYQUGENJOIENSV-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9Br3O/c15-11-3-1-2-9(6-11)4-5-10-7-12(16)14(18)13(17)8-10/h1-8,18H/b5-4+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(3-bromophenyl)ethenyl]phenol has a molecular weight of 432.94 g/mol, XLogP of 5.85, 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-bromophenyl)ethenyl]phenol is sourced from PubChem (CID 45257598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).