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

C17H18O3 — CID 14484904

IUPAC6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCOc1ccccc1)OCC2
InChIInChI=1S/C17H18O3/c18-16-11-14-8-10-20-17(14)12-13(16)5-4-9-19-15-6-2-1-3-7-15/h1-3,6-7,11-12,18H,4-5,8-10H2
InChIKeyAJJARDBQFUEYGL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds5

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

6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484904) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484904
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCOc1ccccc1)OCC2
InChIInChI=1S/C17H18O3/c18-16-11-14-8-10-20-17(14)12-13(16)5-4-9-19-15-6-2-1-3-7-15/h1-3,6-7,11-12,18H,4-5,8-10H2
InChIKeyAJJARDBQFUEYGL-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
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-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol (CID 14484904) is 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1CCCOc1ccccc1)OCC2.
What is the InChIKey of 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is AJJARDBQFUEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16-11-14-8-10-20-17(14)12-13(16)5-4-9-19-15-6-2-1-3-7-15/h1-3,6-7,11-12,18H,4-5,8-10H2.
What are the key properties of 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 270.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).