1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile

C18H16N2O2 — CID 59425335

IUPAC1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C18H16N2O2/c1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyRGGXGNRCGMVODX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.91
Rot. Bonds3

About 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile

1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile (PubChem CID 59425335) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile
PubChem CID59425335
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C18H16N2O2/c1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyRGGXGNRCGMVODX-UHFFFAOYSA-N
XLogP3.91
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile?
The IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile (CID 59425335) is 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile is CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile?
The InChIKey is RGGXGNRCGMVODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile?
1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 59425335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).