6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol

C17H19NO2 — CID 14484907

IUPAC6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCNc1ccccc1)OCC2
InChIInChI=1S/C17H19NO2/c19-16-11-14-8-10-20-17(14)12-13(16)5-4-9-18-15-6-2-1-3-7-15/h1-3,6-7,11-12,18-19H,4-5,8-10H2
InChIKeyDEZPUJPMAABGJW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.37
Rot. Bonds5

About 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol

6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484907) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484907
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCNc1ccccc1)OCC2
InChIInChI=1S/C17H19NO2/c19-16-11-14-8-10-20-17(14)12-13(16)5-4-9-18-15-6-2-1-3-7-15/h1-3,6-7,11-12,18-19H,4-5,8-10H2
InChIKeyDEZPUJPMAABGJW-UHFFFAOYSA-N
XLogP3.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol (CID 14484907) is 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1CCCNc1ccccc1)OCC2.
What is the InChIKey of 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is DEZPUJPMAABGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-11-14-8-10-20-17(14)12-13(16)5-4-9-18-15-6-2-1-3-7-15/h1-3,6-7,11-12,18-19H,4-5,8-10H2.
What are the key properties of 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol?
6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 269.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-anilinopropyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).