3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol

C14H21NO3 — CID 82942372

IUPAC3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCOCCCNC1COc2cc(O)ccc21
InChIInChI=1S/C14H21NO3/c1-2-7-17-8-3-6-15-13-10-18-14-9-11(16)4-5-12(13)14/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3
InChIKeyAIIQXDZJOASWRZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds7

About 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82942372) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82942372
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCOCCCNC1COc2cc(O)ccc21
InChIInChI=1S/C14H21NO3/c1-2-7-17-8-3-6-15-13-10-18-14-9-11(16)4-5-12(13)14/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3
InChIKeyAIIQXDZJOASWRZ-UHFFFAOYSA-N
XLogP2.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
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 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 82942372) is 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol is CCCOCCCNC1COc2cc(O)ccc21.
What is the InChIKey of 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is AIIQXDZJOASWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-7-17-8-3-6-15-13-10-18-14-9-11(16)4-5-12(13)14/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3.
What are the key properties of 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 251.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82942372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).