1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole

C17H23NO3 — CID 80649263

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCC2OCCCO2)c1
InChIInChI=1S/C17H23NO3/c1-2-10-19-15-4-5-16-14(13-15)6-8-18(16)9-7-17-20-11-3-12-21-17/h4-6,8,13,17H,2-3,7,9-12H2,1H3
InChIKeyRKQJVHWXYDHBFJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds6

About 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole

1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole (PubChem CID 80649263) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
PubChem CID80649263
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCC2OCCCO2)c1
InChIInChI=1S/C17H23NO3/c1-2-10-19-15-4-5-16-14(13-15)6-8-18(16)9-7-17-20-11-3-12-21-17/h4-6,8,13,17H,2-3,7,9-12H2,1H3
InChIKeyRKQJVHWXYDHBFJ-UHFFFAOYSA-N
XLogP3.58
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole (CID 80649263) is 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole is CCCOc1ccc2c(ccn2CCC2OCCCO2)c1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole?
The InChIKey is RKQJVHWXYDHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-10-19-15-4-5-16-14(13-15)6-8-18(16)9-7-17-20-11-3-12-21-17/h4-6,8,13,17H,2-3,7,9-12H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole?
1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole has a molecular weight of 289.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole is sourced from PubChem (CID 80649263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).