4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol

C14H11Br2NO — CID 45258135

IUPAC4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
SMILESNc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+
InChIKeyAZVOHBNUGLEXNG-OWOJBTEDSA-N
MW369.06 g/mol
LogP4.67
Rot. Bonds2

About 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol

4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol (PubChem CID 45258135) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
PubChem CID45258135
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
SMILESNc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+
InChIKeyAZVOHBNUGLEXNG-OWOJBTEDSA-N
XLogP4.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol
CID 5375988
4-[2-(4-Aminophenyl)ethyl]-2,6-dibromophenol
CID 44543647
2,4-Dibromo-6-[(4-methylanilino)methyl]phenol
CID 56680180
2,6-dibromo-4-[(E)-2-(2-nitrophenyl)ethenyl]phenol
CID 45258036
2,6-dibromo-4-[(E)-2-(3-nitrophenyl)ethenyl]phenol
CID 45258037
4-[(E)-2-(2-aminophenyl)ethenyl]-2,6-dibromophenol
CID 45258040
4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromophenol
CID 45258134
2,6-Dibromo-4-[2-(2-nitrophenyl)ethyl]phenol
CID 45258444
4-[2-(2-Aminophenyl)ethyl]-2,6-dibromophenol
CID 45258445
4-[2-(3-Aminophenyl)ethyl]-2,6-dibromophenol
CID 45258446
4-(Anilinomethyl)-2,6-dibromophenol
CID 113224525
4-[2-(4-Aminophenyl)ethenyl]phenol
CID 167774

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol?
The IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol (CID 45258135) is 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol?
The canonical SMILES for 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol is Nc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol?
The InChIKey is AZVOHBNUGLEXNG-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol?
4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol has a molecular weight of 369.06 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol is sourced from PubChem (CID 45258135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).