2-(ethoxymethyl)-1-ethylindol-4-ol

C13H17NO2 — CID 117173988

IUPAC2-(ethoxymethyl)-1-ethylindol-4-ol
SMILESCCOCc1cc2c(O)cccc2n1CC
InChIInChI=1S/C13H17NO2/c1-3-14-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8,15H,3-4,9H2,1-2H3
InChIKeyDETDEKCJJHKECP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.90
Rot. Bonds4

About 2-(ethoxymethyl)-1-ethylindol-4-ol

2-(ethoxymethyl)-1-ethylindol-4-ol (PubChem CID 117173988) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-ethylindol-4-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-ethylindol-4-ol
PubChem CID117173988
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(ethoxymethyl)-1-ethylindol-4-ol
SMILESCCOCc1cc2c(O)cccc2n1CC
InChIInChI=1S/C13H17NO2/c1-3-14-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8,15H,3-4,9H2,1-2H3
InChIKeyDETDEKCJJHKECP-UHFFFAOYSA-N
XLogP2.90
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-1-ethyl-4-fluoroindole
CID 117173996
2-(ethoxymethyl)-1-ethylindol-4-amine
CID 117173980
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
1-ethyl-2-(ethylaminomethyl)indol-4-ol
CID 117173987
2-(ethoxymethyl)-1-ethylindole
CID 117173973
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-ethylindol-4-ol?
The IUPAC name of 2-(ethoxymethyl)-1-ethylindol-4-ol (CID 117173988) is 2-(ethoxymethyl)-1-ethylindol-4-ol.
What is the SMILES notation for 2-(ethoxymethyl)-1-ethylindol-4-ol?
The canonical SMILES for 2-(ethoxymethyl)-1-ethylindol-4-ol is CCOCc1cc2c(O)cccc2n1CC.
What is the InChIKey of 2-(ethoxymethyl)-1-ethylindol-4-ol?
The InChIKey is DETDEKCJJHKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-ethylindol-4-ol?
2-(ethoxymethyl)-1-ethylindol-4-ol has a molecular weight of 219.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-ethylindol-4-ol is sourced from PubChem (CID 117173988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).