3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol

C17H15BrN2O2 — CID 136996408

IUPAC3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3ccc(C)cc3Br)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)19-9-13-12-8-11(22-2)4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyOINHLUYZENZOCR-DJKKODMXSA-N
MW359.22 g/mol
LogP4.70
Rot. Bonds3

About 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol

3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol (PubChem CID 136996408) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
PubChem CID136996408
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3ccc(C)cc3Br)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)19-9-13-12-8-11(22-2)4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyOINHLUYZENZOCR-DJKKODMXSA-N
XLogP4.70
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol?
The IUPAC name of 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol (CID 136996408) is 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol?
The canonical SMILES for 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol is COc1ccc2[nH]c(O)c(/C=N/c3ccc(C)cc3Br)c2c1.
What is the InChIKey of 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol?
The InChIKey is OINHLUYZENZOCR-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)19-9-13-12-8-11(22-2)4-6-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol?
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol has a molecular weight of 359.22 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol is sourced from PubChem (CID 136996408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).