4-bromo-2-(furan-2-ylmethyliminomethyl)phenol

C12H10BrNO2 — CID 871214

IUPAC4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccco1
InChIInChI=1S/C12H10BrNO2/c13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+
InChIKeyVRBMWRUQMPQXDE-VGOFMYFVSA-N
MW280.12 g/mol
LogP3.37
Rot. Bonds3

About 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol

4-bromo-2-(furan-2-ylmethyliminomethyl)phenol (PubChem CID 871214) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
PubChem CID871214
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccco1
InChIInChI=1S/C12H10BrNO2/c13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+
InChIKeyVRBMWRUQMPQXDE-VGOFMYFVSA-N
XLogP3.37
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
CID 139195391
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
CID 135607691
4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
CID 25269240
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
2-(1,3-benzodioxol-5-ylmethyliminomethyl)-4-bromophenol
CID 135936264
2-[2-(furan-2-yl)ethyliminomethyl]-4-nitrophenol
CID 135757905
bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
CID 170896531
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 135962710
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137157567
4-bromo-2-[[2-[3-[2-[[(5-bromo-2-hydroxyphenyl)methylideneamino]methyl]phenoxy]-2-hydroxypropoxy]phenyl]methyliminomethyl]phenol
CID 139205120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol (CID 871214) is 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol is Oc1ccc(Br)cc1/C=N/Cc1ccco1.
What is the InChIKey of 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol?
The InChIKey is VRBMWRUQMPQXDE-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+.
What are the key properties of 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol?
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol has a molecular weight of 280.12 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(furan-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 871214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).