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

C23H27NO2 — CID 70526808

IUPAC[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H27NO2/c1-4-6-16-21(26-5-2)24-17(3)22(19-14-10-11-15-20(19)24)23(25)18-12-8-7-9-13-18/h7-15,21H,4-6,16H2,1-3H3
InChIKeyBFTMUMDPUBSKIX-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.91
Rot. Bonds8

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

[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 70526808) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID70526808
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H27NO2/c1-4-6-16-21(26-5-2)24-17(3)22(19-14-10-11-15-20(19)24)23(25)18-12-8-7-9-13-18/h7-15,21H,4-6,16H2,1-3H3
InChIKeyBFTMUMDPUBSKIX-UHFFFAOYSA-N
XLogP5.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526186
[1-(1-ethoxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526826
[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 12852034
[1-(1-ethylsulfanylbutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526821
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526497
[1-[1-(benzenesulfinyl)butyl]-2-methylindol-3-yl]-phenylmethanone
CID 70526149
[2-methyl-1-(4-phenylsulfanylbutan-2-yl)indol-3-yl]-phenylmethanone
CID 70525880
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526326
[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526697
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone (CID 70526808) is [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone is CCCCC(OCC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is BFTMUMDPUBSKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-4-6-16-21(26-5-2)24-17(3)22(19-14-10-11-15-20(19)24)23(25)18-12-8-7-9-13-18/h7-15,21H,4-6,16H2,1-3H3.
What are the key properties of [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone?
[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 349.47 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).