3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol

C18H18N2O3 — CID 2859784

IUPAC3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(C/N=C/c2c(O)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-8-7-12(9-17(16)23-2)10-19-11-14-13-5-3-4-6-15(13)20-18(14)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+
InChIKeyXGVWSOBUUUYOGC-YBFXNURJSA-N
MW310.35 g/mol
LogP3.51
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol

3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 2859784) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID2859784
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(C/N=C/c2c(O)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-8-7-12(9-17(16)23-2)10-19-11-14-13-5-3-4-6-15(13)20-18(14)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+
InChIKeyXGVWSOBUUUYOGC-YBFXNURJSA-N
XLogP3.51
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.51
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-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995957
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol (CID 2859784) is 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol is COc1ccc(C/N=C/c2c(O)[nH]c3ccccc23)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is XGVWSOBUUUYOGC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-8-7-12(9-17(16)23-2)10-19-11-14-13-5-3-4-6-15(13)20-18(14)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol?
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 310.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2859784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).