5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium

C20H24NO2+ — CID 11338459

IUPAC5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=[N+]3C)c(OC)c1
InChIInChI=1S/C20H24NO2/c1-13-20(2,3)17-11-14(7-10-18(17)21(13)4)16-9-8-15(22-5)12-19(16)23-6/h7-12H,1-6H3/q+1
InChIKeyQOPOMNJVTFWHPL-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.40
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium

5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium (PubChem CID 11338459) has the molecular formula C20H24NO2+ and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium
PubChem CID11338459
Molecular FormulaC20H24NO2+
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=[N+]3C)c(OC)c1
InChIInChI=1S/C20H24NO2/c1-13-20(2,3)17-11-14(7-10-18(17)21(13)4)16-9-8-15(22-5)12-19(16)23-6/h7-12H,1-6H3/q+1
InChIKeyQOPOMNJVTFWHPL-UHFFFAOYSA-N
XLogP4.40
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium (CID 11338459) is 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium is COc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=[N+]3C)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium?
The InChIKey is QOPOMNJVTFWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO2/c1-13-20(2,3)17-11-14(7-10-18(17)21(13)4)16-9-8-15(22-5)12-19(16)23-6/h7-12H,1-6H3/q+1.
What are the key properties of 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium?
5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium has a molecular weight of 310.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1,2,3,3-tetramethylindol-1-ium is sourced from PubChem (CID 11338459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).