5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol

C17H23NO3 — CID 149297079

IUPAC5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol
SMILESNC1CCC(CCOCCc2cc3ccoc3cc2O)C1
InChIInChI=1S/C17H23NO3/c18-15-2-1-12(9-15)3-6-20-7-4-13-10-14-5-8-21-17(14)11-16(13)19/h5,8,10-12,15,19H,1-4,6-7,9,18H2
InChIKeyXVZPTQTZVWWKBL-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.21
Rot. Bonds6

About 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol

5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol (PubChem CID 149297079) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol
PubChem CID149297079
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol
SMILESNC1CCC(CCOCCc2cc3ccoc3cc2O)C1
InChIInChI=1S/C17H23NO3/c18-15-2-1-12(9-15)3-6-20-7-4-13-10-14-5-8-21-17(14)11-16(13)19/h5,8,10-12,15,19H,1-4,6-7,9,18H2
InChIKeyXVZPTQTZVWWKBL-UHFFFAOYSA-N
XLogP3.21
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol?
The IUPAC name of 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol (CID 149297079) is 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol.
What is the SMILES notation for 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol?
The canonical SMILES for 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol is NC1CCC(CCOCCc2cc3ccoc3cc2O)C1.
What is the InChIKey of 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol?
The InChIKey is XVZPTQTZVWWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c18-15-2-1-12(9-15)3-6-20-7-4-13-10-14-5-8-21-17(14)11-16(13)19/h5,8,10-12,15,19H,1-4,6-7,9,18H2.
What are the key properties of 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol?
5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol has a molecular weight of 289.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol is sourced from PubChem (CID 149297079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).