4-ethoxy-1-(phenylmethoxymethyl)indole

C18H19NO2 — CID 102940706

IUPAC4-ethoxy-1-(phenylmethoxymethyl)indole
SMILESCCOc1cccc2c1ccn2COCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-21-18-10-6-9-17-16(18)11-12-19(17)14-20-13-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3
InChIKeyRBKSZXASDJMFOY-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.21
Rot. Bonds6

About 4-ethoxy-1-(phenylmethoxymethyl)indole

4-ethoxy-1-(phenylmethoxymethyl)indole (PubChem CID 102940706) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-ethoxy-1-(phenylmethoxymethyl)indole.

Molecular Properties

Compound Name4-ethoxy-1-(phenylmethoxymethyl)indole
PubChem CID102940706
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name4-ethoxy-1-(phenylmethoxymethyl)indole
SMILESCCOc1cccc2c1ccn2COCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-21-18-10-6-9-17-16(18)11-12-19(17)14-20-13-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3
InChIKeyRBKSZXASDJMFOY-UHFFFAOYSA-N
XLogP4.21
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(phenylmethoxymethyl)indole?
The IUPAC name of 4-ethoxy-1-(phenylmethoxymethyl)indole (CID 102940706) is 4-ethoxy-1-(phenylmethoxymethyl)indole.
What is the SMILES notation for 4-ethoxy-1-(phenylmethoxymethyl)indole?
The canonical SMILES for 4-ethoxy-1-(phenylmethoxymethyl)indole is CCOc1cccc2c1ccn2COCc1ccccc1.
What is the InChIKey of 4-ethoxy-1-(phenylmethoxymethyl)indole?
The InChIKey is RBKSZXASDJMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-18-10-6-9-17-16(18)11-12-19(17)14-20-13-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3.
What are the key properties of 4-ethoxy-1-(phenylmethoxymethyl)indole?
4-ethoxy-1-(phenylmethoxymethyl)indole has a molecular weight of 281.35 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(phenylmethoxymethyl)indole is sourced from PubChem (CID 102940706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).