3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol

C18H18N2O2 — CID 2859778

IUPAC3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccccc1CC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)10-11-19-12-15-14-7-3-4-8-16(14)20-18(15)21/h2-9,12,20-21H,10-11H2,1H3/b19-12+
InChIKeyAVPSLDGNHXVVSV-XDHOZWIPSA-N
MW294.35 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol

3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (PubChem CID 2859778) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
PubChem CID2859778
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccccc1CC/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)10-11-19-12-15-14-7-3-4-8-16(14)20-18(15)21/h2-9,12,20-21H,10-11H2,1H3/b19-12+
InChIKeyAVPSLDGNHXVVSV-XDHOZWIPSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
CID 2256128
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995957
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
N-[2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylmethanimine
CID 90458441
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
1-[(2-methoxyphenyl)methyliminomethyl]naphthalen-2-ol
CID 135595588

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (CID 2859778) is 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is COc1ccccc1CC/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The InChIKey is AVPSLDGNHXVVSV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)10-11-19-12-15-14-7-3-4-8-16(14)20-18(15)21/h2-9,12,20-21H,10-11H2,1H3/b19-12+.
What are the key properties of 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol has a molecular weight of 294.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2859778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).