3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol

C18H18N2O3 — CID 135863199

IUPAC3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
SMILESCOc1ccc(OC)c(/N=C/c2c(O)[nH]c3cccc(C)c23)c1
InChIInChI=1S/C18H18N2O3/c1-11-5-4-6-14-17(11)13(18(21)20-14)10-19-15-9-12(22-2)7-8-16(15)23-3/h4-10,20-21H,1-3H3/b19-10+
InChIKeySSEMMVGISQSLDU-VXLYETTFSA-N
MW310.35 g/mol
LogP3.95
Rot. Bonds4

About 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol

3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol (PubChem CID 135863199) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
PubChem CID135863199
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
SMILESCOc1ccc(OC)c(/N=C/c2c(O)[nH]c3cccc(C)c23)c1
InChIInChI=1S/C18H18N2O3/c1-11-5-4-6-14-17(11)13(18(21)20-14)10-19-15-9-12(22-2)7-8-16(15)23-3/h4-10,20-21H,1-3H3/b19-10+
InChIKeySSEMMVGISQSLDU-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-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605545
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol (CID 135863199) is 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol is COc1ccc(OC)c(/N=C/c2c(O)[nH]c3cccc(C)c23)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
The InChIKey is SSEMMVGISQSLDU-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-5-4-6-14-17(11)13(18(21)20-14)10-19-15-9-12(22-2)7-8-16(15)23-3/h4-10,20-21H,1-3H3/b19-10+.
What are the key properties of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol?
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-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 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol is sourced from PubChem (CID 135863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).