5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol

C18H29NO4 — CID 70356693

IUPAC5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol
SMILESCC(O)CCCOC1(OCCCC(C)O)Cc2ccccc2N1
InChIInChI=1S/C18H29NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-16-9-3-4-10-17(16)19-18/h3-4,9-10,14-15,19-21H,5-8,11-13H2,1-2H3
InChIKeyDXVUJBDTKLJMQT-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.66
Rot. Bonds10

About 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol

5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol (PubChem CID 70356693) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol.

Molecular Properties

Compound Name5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol
PubChem CID70356693
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol
SMILESCC(O)CCCOC1(OCCCC(C)O)Cc2ccccc2N1
InChIInChI=1S/C18H29NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-16-9-3-4-10-17(16)19-18/h3-4,9-10,14-15,19-21H,5-8,11-13H2,1-2H3
InChIKeyDXVUJBDTKLJMQT-UHFFFAOYSA-N
XLogP2.66
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol?
The IUPAC name of 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol (CID 70356693) is 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol.
What is the SMILES notation for 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol?
The canonical SMILES for 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol is CC(O)CCCOC1(OCCCC(C)O)Cc2ccccc2N1.
What is the InChIKey of 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol?
The InChIKey is DXVUJBDTKLJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-14(20)7-5-11-22-18(23-12-6-8-15(2)21)13-16-9-3-4-10-17(16)19-18/h3-4,9-10,14-15,19-21H,5-8,11-13H2,1-2H3.
What are the key properties of 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol?
5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol has a molecular weight of 323.43 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol is sourced from PubChem (CID 70356693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).