3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile

C24H18N2O3 — CID 7757263

IUPAC3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H18N2O3/c1-28-22-13-16(14-25)11-12-21(22)29-15-20(27)23-18-9-5-6-10-19(18)26-24(23)17-7-3-2-4-8-17/h2-13,26H,15H2,1H3
InChIKeyPOTHUTFENITNFW-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.98
Rot. Bonds6

About 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile

3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile (PubChem CID 7757263) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
PubChem CID7757263
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H18N2O3/c1-28-22-13-16(14-25)11-12-21(22)29-15-20(27)23-18-9-5-6-10-19(18)26-24(23)17-7-3-2-4-8-17/h2-13,26H,15H2,1H3
InChIKeyPOTHUTFENITNFW-UHFFFAOYSA-N
XLogP4.98
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 2568914
2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 7858967
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 42984073
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599864
3-methoxy-4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
CID 7757330
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
4-[2-(4-tert-butylphenyl)-2-oxoethoxy]-3-methoxybenzonitrile
CID 7252104
(4-cyano-2-methoxyphenyl) 2-phenoxyacetate
CID 2715586
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
3-methoxy-4-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzonitrile
CID 7757521

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile (CID 7757263) is 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile is COc1cc(C#N)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile?
The InChIKey is POTHUTFENITNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-22-13-16(14-25)11-12-21(22)29-15-20(27)23-18-9-5-6-10-19(18)26-24(23)17-7-3-2-4-8-17/h2-13,26H,15H2,1H3.
What are the key properties of 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile?
3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile has a molecular weight of 382.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 7757263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).