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

C18H18N2O3 — CID 136996378

IUPAC5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3cc(C)ccc3OC)c2c1
InChIInChI=1S/C18H18N2O3/c1-11-4-7-17(23-3)16(8-11)19-10-14-13-9-12(22-2)5-6-15(13)20-18(14)21/h4-10,20-21H,1-3H3/b19-10+
InChIKeyAUGKNEGWHOHROQ-VXLYETTFSA-N
MW310.35 g/mol
LogP3.95
Rot. Bonds4

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

5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 136996378) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID136996378
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3cc(C)ccc3OC)c2c1
InChIInChI=1S/C18H18N2O3/c1-11-4-7-17(23-3)16(8-11)19-10-14-13-9-12(22-2)5-6-15(13)20-18(14)21/h4-10,20-21H,1-3H3/b19-10+
InChIKeyAUGKNEGWHOHROQ-VXLYETTFSA-N
XLogP3.95
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol (CID 136996378) is 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol is COc1ccc2[nH]c(O)c(/C=N/c3cc(C)ccc3OC)c2c1.
What is the InChIKey of 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is AUGKNEGWHOHROQ-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-7-17(23-3)16(8-11)19-10-14-13-9-12(22-2)5-6-15(13)20-18(14)21/h4-10,20-21H,1-3H3/b19-10+.
What are the key properties of 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol?
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 310.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).