3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole

C21H25NO2 — CID 162433914

IUPAC3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
SMILESCCOC(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H25NO2/c1-3-23-16(2)9-10-18-14-22-21-12-11-19(13-20(18)21)24-15-17-7-5-4-6-8-17/h4-8,11-14,16,22H,3,9-10,15H2,1-2H3
InChIKeyIBSJDCLGGXIZIM-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.10
Rot. Bonds8

About 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole

3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole (PubChem CID 162433914) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
PubChem CID162433914
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
SMILESCCOC(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H25NO2/c1-3-23-16(2)9-10-18-14-22-21-12-11-19(13-20(18)21)24-15-17-7-5-4-6-8-17/h4-8,11-14,16,22H,3,9-10,15H2,1-2H3
InChIKeyIBSJDCLGGXIZIM-UHFFFAOYSA-N
XLogP5.10
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392250
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole (CID 162433914) is 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole is CCOC(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole?
The InChIKey is IBSJDCLGGXIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-23-16(2)9-10-18-14-22-21-12-11-19(13-20(18)21)24-15-17-7-5-4-6-8-17/h4-8,11-14,16,22H,3,9-10,15H2,1-2H3.
What are the key properties of 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole?
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole has a molecular weight of 323.44 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 162433914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).