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

C18H18N2O2 — CID 136995960

IUPAC3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1cccc(CC/N=C/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N2O2/c1-22-14-6-4-5-13(11-14)9-10-19-12-16-15-7-2-3-8-17(15)20-18(16)21/h2-8,11-12,20-21H,9-10H2,1H3/b19-12+
InChIKeyWQBSYHDALBNWCM-XDHOZWIPSA-N
MW294.35 g/mol
LogP3.54
Rot. Bonds5

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

3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (PubChem CID 136995960) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
PubChem CID136995960
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1cccc(CC/N=C/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N2O2/c1-22-14-6-4-5-13(11-14)9-10-19-12-16-15-7-2-3-8-17(15)20-18(16)21/h2-8,11-12,20-21H,9-10H2,1H3/b19-12+
InChIKeyWQBSYHDALBNWCM-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-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
CID 2256128
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 171982490
4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135921976
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
(E)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-3-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
CID 129186939
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (CID 136995960) is 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is COc1cccc(CC/N=C/c2c(O)[nH]c3ccccc23)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The InChIKey is WQBSYHDALBNWCM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-14-6-4-5-13(11-14)9-10-19-12-16-15-7-2-3-8-17(15)20-18(16)21/h2-8,11-12,20-21H,9-10H2,1H3/b19-12+.
What are the key properties of 3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
3-[2-(3-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-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).