4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol

C12H9BrN2O2 — CID 135607691

IUPAC4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N=Cc1ccco1
InChIInChI=1S/C12H9BrN2O2/c13-10-3-4-12(16)9(6-10)7-14-15-8-11-2-1-5-17-11/h1-8,16H/b14-7+,15-8?
InChIKeyGRIIXCQXBHLFGN-HOEVUHEGSA-N
MW293.12 g/mol
LogP3.20
Rot. Bonds3

About 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol

4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol (PubChem CID 135607691) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
PubChem CID135607691
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N=Cc1ccco1
InChIInChI=1S/C12H9BrN2O2/c13-10-3-4-12(16)9(6-10)7-14-15-8-11-2-1-5-17-11/h1-8,16H/b14-7+,15-8?
InChIKeyGRIIXCQXBHLFGN-HOEVUHEGSA-N
XLogP3.20
TPSA58.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478753
2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
CID 54610300
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
CID 92523787
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
CID 54606337
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol (CID 135607691) is 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol is Oc1ccc(Br)cc1/C=N/N=Cc1ccco1.
What is the InChIKey of 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol?
The InChIKey is GRIIXCQXBHLFGN-HOEVUHEGSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-10-3-4-12(16)9(6-10)7-14-15-8-11-2-1-5-17-11/h1-8,16H/b14-7+,15-8?.
What are the key properties of 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol?
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol has a molecular weight of 293.12 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol is sourced from PubChem (CID 135607691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).