4-ethoxy-1-(oxan-4-ylmethyl)indole

C16H21NO2 — CID 83174245

IUPAC4-ethoxy-1-(oxan-4-ylmethyl)indole
SMILESCCOc1cccc2c1ccn2CC1CCOCC1
InChIInChI=1S/C16H21NO2/c1-2-19-16-5-3-4-15-14(16)6-9-17(15)12-13-7-10-18-11-8-13/h3-6,9,13H,2,7-8,10-12H2,1H3
InChIKeyNOUUJBUNNHYUTK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.47
Rot. Bonds4

About 4-ethoxy-1-(oxan-4-ylmethyl)indole

4-ethoxy-1-(oxan-4-ylmethyl)indole (PubChem CID 83174245) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-ylmethyl)indole.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-ylmethyl)indole
PubChem CID83174245
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-ethoxy-1-(oxan-4-ylmethyl)indole
SMILESCCOc1cccc2c1ccn2CC1CCOCC1
InChIInChI=1S/C16H21NO2/c1-2-19-16-5-3-4-15-14(16)6-9-17(15)12-13-7-10-18-11-8-13/h3-6,9,13H,2,7-8,10-12H2,1H3
InChIKeyNOUUJBUNNHYUTK-UHFFFAOYSA-N
XLogP3.47
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pindolol
CID 4828
Arvelexin
CID 119406
(-)-Pindolol
CID 688095
4-Methoxy-1H-indole
CID 138363
6-Methoxy-1H-indole
CID 76659
(3-(2-(diethylamino)ethyl)-1H-indol-4-yl) acetate
CID 24801867
4-(phenylmethoxy)-1H-indole
CID 88465
N-Methyl-5-benzyloxyindole
CID 259196
O-Acetylpsilocin
CID 15429212
5-Methoxy-4,9-dihydro-3H-beta-carboline
CID 11424197
1-Methylpsilocin
CID 44404883
1-(4-methoxyphenyl)-1H-indole
CID 775715

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-ylmethyl)indole?
The IUPAC name of 4-ethoxy-1-(oxan-4-ylmethyl)indole (CID 83174245) is 4-ethoxy-1-(oxan-4-ylmethyl)indole.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-ylmethyl)indole?
The canonical SMILES for 4-ethoxy-1-(oxan-4-ylmethyl)indole is CCOc1cccc2c1ccn2CC1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-ylmethyl)indole?
The InChIKey is NOUUJBUNNHYUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-19-16-5-3-4-15-14(16)6-9-17(15)12-13-7-10-18-11-8-13/h3-6,9,13H,2,7-8,10-12H2,1H3.
What are the key properties of 4-ethoxy-1-(oxan-4-ylmethyl)indole?
4-ethoxy-1-(oxan-4-ylmethyl)indole has a molecular weight of 259.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(oxan-4-ylmethyl)indole is sourced from PubChem (CID 83174245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).