5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol

C18H27NO4 — CID 66697955

IUPAC5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol
SMILESCC(O)CCCOC1(OCCCC(C)O)C=Nc2ccccc21
InChIInChI=1S/C18H27NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-19-17-10-4-3-9-16(17)18/h3-4,9-10,13-15,20-21H,5-8,11-12H2,1-2H3
InChIKeyAKDJHWWUFVJEGU-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.91
Rot. Bonds10

About 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol

5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol (PubChem CID 66697955) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol.

Molecular Properties

Compound Name5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol
PubChem CID66697955
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol
SMILESCC(O)CCCOC1(OCCCC(C)O)C=Nc2ccccc21
InChIInChI=1S/C18H27NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-19-17-10-4-3-9-16(17)18/h3-4,9-10,13-15,20-21H,5-8,11-12H2,1-2H3
InChIKeyAKDJHWWUFVJEGU-UHFFFAOYSA-N
XLogP2.91
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol 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 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol?
The IUPAC name of 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol (CID 66697955) is 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol.
What is the SMILES notation for 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol?
The canonical SMILES for 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol is CC(O)CCCOC1(OCCCC(C)O)C=Nc2ccccc21.
What is the InChIKey of 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol?
The InChIKey is AKDJHWWUFVJEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-19-17-10-4-3-9-16(17)18/h3-4,9-10,13-15,20-21H,5-8,11-12H2,1-2H3.
What are the key properties of 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol?
5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol has a molecular weight of 321.42 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxypentoxy)indol-3-yl]oxypentan-2-ol is sourced from PubChem (CID 66697955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).