4-[(3-bromophenyl)iminomethyl]phenol

C13H10BrNO — CID 868394

IUPAC4-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+
InChIKeyJAODVGFLSYIQJS-OQLLNIDSSA-N
MW276.13 g/mol
LogP3.91
Rot. Bonds2

About 4-[(3-bromophenyl)iminomethyl]phenol

4-[(3-bromophenyl)iminomethyl]phenol (PubChem CID 868394) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 4-[(3-bromophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(3-bromophenyl)iminomethyl]phenol
PubChem CID868394
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name4-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+
InChIKeyJAODVGFLSYIQJS-OQLLNIDSSA-N
XLogP3.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3-bromophenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
CID 135801223
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
4-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]phenol
CID 126017200
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
2-[(3-bromophenyl)iminomethyl]quinolin-8-ol
CID 172994191
4-[(E)-[[(3-bromophenyl)-hydroxymethyl]hydrazinylidene]methyl]phenol
CID 145098019
1-[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]-N-(3-bromophenyl)methanimine;hydrochloride
CID 54603380
4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
CID 137088957

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)iminomethyl]phenol?
The IUPAC name of 4-[(3-bromophenyl)iminomethyl]phenol (CID 868394) is 4-[(3-bromophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(3-bromophenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(3-bromophenyl)iminomethyl]phenol is Oc1ccc(/C=N/c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)iminomethyl]phenol?
The InChIKey is JAODVGFLSYIQJS-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h1-9,16H/b15-9+.
What are the key properties of 4-[(3-bromophenyl)iminomethyl]phenol?
4-[(3-bromophenyl)iminomethyl]phenol has a molecular weight of 276.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)iminomethyl]phenol is sourced from PubChem (CID 868394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).