2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol

C14H12BrNO2 — CID 137224260

IUPAC2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccccc2Br)c(O)c1
InChIInChI=1S/C14H12BrNO2/c1-18-11-7-6-10(14(17)8-11)9-16-13-5-3-2-4-12(13)15/h2-9,17H,1H3/b16-9+
InChIKeyJKLNUZQOPJAFBE-CXUHLZMHSA-N
MW306.16 g/mol
LogP3.91
Rot. Bonds3

About 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol

2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol (PubChem CID 137224260) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
PubChem CID137224260
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccccc2Br)c(O)c1
InChIInChI=1S/C14H12BrNO2/c1-18-11-7-6-10(14(17)8-11)9-16-13-5-3-2-4-12(13)15/h2-9,17H,1H3/b16-9+
InChIKeyJKLNUZQOPJAFBE-CXUHLZMHSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.91
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

2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol
CID 177466291
iron(3+);5-methoxy-2-[[2-[(4-methoxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;chloride
CID 50908685
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine
CID 50857935
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol?
The IUPAC name of 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol (CID 137224260) is 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol?
The canonical SMILES for 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol is COc1ccc(/C=N/c2ccccc2Br)c(O)c1.
What is the InChIKey of 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol?
The InChIKey is JKLNUZQOPJAFBE-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-11-7-6-10(14(17)8-11)9-16-13-5-3-2-4-12(13)15/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol?
2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol has a molecular weight of 306.16 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol is sourced from PubChem (CID 137224260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).