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

C17H16N2O3 — CID 136996373

IUPAC5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1
InChIInChI=1S/C17H16N2O3/c1-21-11-7-8-14-12(9-11)13(17(20)19-14)10-18-15-5-3-4-6-16(15)22-2/h3-10,19-20H,1-2H3/b18-10+
InChIKeyNSTITWYOGINJFG-VCHYOVAHSA-N
MW296.33 g/mol
LogP3.64
Rot. Bonds4

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

5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 136996373) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID136996373
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1
InChIInChI=1S/C17H16N2O3/c1-21-11-7-8-14-12(9-11)13(17(20)19-14)10-18-15-5-3-4-6-16(15)22-2/h3-10,19-20H,1-2H3/b18-10+
InChIKeyNSTITWYOGINJFG-VCHYOVAHSA-N
XLogP3.64
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.64
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

5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135581614
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
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
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 136996373) is 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1ccc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1.
What is the InChIKey of 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is NSTITWYOGINJFG-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-11-7-8-14-12(9-11)13(17(20)19-14)10-18-15-5-3-4-6-16(15)22-2/h3-10,19-20H,1-2H3/b18-10+.
What are the key properties of 5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 296.33 g/mol, XLogP of 3.64, 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-methoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).