2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol

C20H20N2O — CID 91249384

IUPAC2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
SMILESCCc1ccc2cn(-c3ccc4c(c3)cc(C)n4C)c(O)c2c1
InChIInChI=1S/C20H20N2O/c1-4-14-5-6-15-12-22(20(23)18(15)10-14)17-7-8-19-16(11-17)9-13(2)21(19)3/h5-12,23H,4H2,1-3H3
InChIKeyIPDFWVAXWLECOO-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.70
Rot. Bonds2

About 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol

2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol (PubChem CID 91249384) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol.

Molecular Properties

Compound Name2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
PubChem CID91249384
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
SMILESCCc1ccc2cn(-c3ccc4c(c3)cc(C)n4C)c(O)c2c1
InChIInChI=1S/C20H20N2O/c1-4-14-5-6-15-12-22(20(23)18(15)10-14)17-7-8-19-16(11-17)9-13(2)21(19)3/h5-12,23H,4H2,1-3H3
InChIKeyIPDFWVAXWLECOO-UHFFFAOYSA-N
XLogP4.70
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol?
The IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol (CID 91249384) is 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol.
What is the SMILES notation for 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol?
The canonical SMILES for 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol is CCc1ccc2cn(-c3ccc4c(c3)cc(C)n4C)c(O)c2c1.
What is the InChIKey of 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol?
The InChIKey is IPDFWVAXWLECOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-4-14-5-6-15-12-22(20(23)18(15)10-14)17-7-8-19-16(11-17)9-13(2)21(19)3/h5-12,23H,4H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol?
2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol has a molecular weight of 304.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol is sourced from PubChem (CID 91249384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).