1-(1-benzylindol-3-yl)-2-phenoxyethanone

C23H19NO2 — CID 2219407

IUPAC1-(1-benzylindol-3-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H19NO2/c25-23(17-26-19-11-5-2-6-12-19)21-16-24(15-18-9-3-1-4-10-18)22-14-8-7-13-20(21)22/h1-14,16H,15,17H2
InChIKeyYGZGDXZUVSMODG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.95
Rot. Bonds6

About 1-(1-benzylindol-3-yl)-2-phenoxyethanone

1-(1-benzylindol-3-yl)-2-phenoxyethanone (PubChem CID 2219407) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-2-phenoxyethanone
PubChem CID2219407
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-(1-benzylindol-3-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H19NO2/c25-23(17-26-19-11-5-2-6-12-19)21-16-24(15-18-9-3-1-4-10-18)22-14-8-7-13-20(21)22/h1-14,16H,15,17H2
InChIKeyYGZGDXZUVSMODG-UHFFFAOYSA-N
XLogP4.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Tiplasinin
CID 6450819
Jwh 081
CID 10547208
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
NM-2201
CID 91864534
1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
CID 11670893
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)-2-phenoxyethanone?
The IUPAC name of 1-(1-benzylindol-3-yl)-2-phenoxyethanone (CID 2219407) is 1-(1-benzylindol-3-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(1-benzylindol-3-yl)-2-phenoxyethanone is O=C(COc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)-2-phenoxyethanone?
The InChIKey is YGZGDXZUVSMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23(17-26-19-11-5-2-6-12-19)21-16-24(15-18-9-3-1-4-10-18)22-14-8-7-13-20(21)22/h1-14,16H,15,17H2.
What are the key properties of 1-(1-benzylindol-3-yl)-2-phenoxyethanone?
1-(1-benzylindol-3-yl)-2-phenoxyethanone has a molecular weight of 341.41 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-2-phenoxyethanone is sourced from PubChem (CID 2219407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).