[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone

C22H25NO2 — CID 70526186

IUPAC[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-4-11-20(25-5-2)23-16(3)21(18-14-9-10-15-19(18)23)22(24)17-12-7-6-8-13-17/h6-10,12-15,20H,4-5,11H2,1-3H3
InChIKeyGGKUYXAOIBLJRU-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.52
Rot. Bonds7

About [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone

[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 70526186) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID70526186
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-4-11-20(25-5-2)23-16(3)21(18-14-9-10-15-19(18)23)22(24)17-12-7-6-8-13-17/h6-10,12-15,20H,4-5,11H2,1-3H3
InChIKeyGGKUYXAOIBLJRU-UHFFFAOYSA-N
XLogP5.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526808
[1-(1-ethylsulfanylbutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526821
[1-(1-ethoxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526826
[1-[1-(benzenesulfinyl)butyl]-2-methylindol-3-yl]-phenylmethanone
CID 70526149
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526497
[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 12852034
[2-methyl-1-(4-phenylsulfanylbutan-2-yl)indol-3-yl]-phenylmethanone
CID 70525880
[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526697
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770
[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526326
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone (CID 70526186) is [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone is CCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is GGKUYXAOIBLJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-4-11-20(25-5-2)23-16(3)21(18-14-9-10-15-19(18)23)22(24)17-12-7-6-8-13-17/h6-10,12-15,20H,4-5,11H2,1-3H3.
What are the key properties of [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone?
[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 335.45 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).