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

C18H18N2O4 — CID 2859793

IUPAC3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc(/N=C/c2c(O)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-8-11(9-16(23-2)17(15)24-3)19-10-13-12-6-4-5-7-14(12)20-18(13)21/h4-10,20-21H,1-3H3/b19-10+
InChIKeyLTTOREADUZVGKO-VXLYETTFSA-N
MW326.35 g/mol
LogP3.65
Rot. Bonds5

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

3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 2859793) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID2859793
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc(/N=C/c2c(O)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-8-11(9-16(23-2)17(15)24-3)19-10-13-12-6-4-5-7-14(12)20-18(13)21/h4-10,20-21H,1-3H3/b19-10+
InChIKeyLTTOREADUZVGKO-VXLYETTFSA-N
XLogP3.65
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 2859793) is 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1cc(/N=C/c2c(O)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is LTTOREADUZVGKO-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-15-8-11(9-16(23-2)17(15)24-3)19-10-13-12-6-4-5-7-14(12)20-18(13)21/h4-10,20-21H,1-3H3/b19-10+.
What are the key properties of 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 326.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2859793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).