3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol

C17H16N2O2 — CID 135605545

IUPAC3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)[nH]c3cccc(C)c23)cc1O
InChIInChI=1S/C17H16N2O2/c1-10-6-7-12(8-15(10)20)18-9-13-16-11(2)4-3-5-14(16)19-17(13)21/h3-9,19-21H,1-2H3/b18-9+
InChIKeyJVTRFRQVWNLQGB-GIJQJNRQSA-N
MW280.33 g/mol
LogP3.95
Rot. Bonds2

About 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol

3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol (PubChem CID 135605545) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
PubChem CID135605545
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=C/c2c(O)[nH]c3cccc(C)c23)cc1O
InChIInChI=1S/C17H16N2O2/c1-10-6-7-12(8-15(10)20)18-9-13-16-11(2)4-3-5-14(16)19-17(13)21/h3-9,19-21H,1-2H3/b18-9+
InChIKeyJVTRFRQVWNLQGB-GIJQJNRQSA-N
XLogP3.95
TPSA68.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605312
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605299
3-[[4-(4-butylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605341
3-[[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605226
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605378
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
1-[4-[(4-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]-2-methylphenyl]piperidine-4-carboxylic acid
CID 135605301
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol (CID 135605545) is 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol is Cc1ccc(/N=C/c2c(O)[nH]c3cccc(C)c23)cc1O.
What is the InChIKey of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The InChIKey is JVTRFRQVWNLQGB-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-6-7-12(8-15(10)20)18-9-13-16-11(2)4-3-5-14(16)19-17(13)21/h3-9,19-21H,1-2H3/b18-9+.
What are the key properties of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol has a molecular weight of 280.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol is sourced from PubChem (CID 135605545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).