4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol

C17H18O3 — CID 14484905

IUPAC4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1ccc2c(c1CCCOc1ccccc1)CCO2
InChIInChI=1S/C17H18O3/c18-16-8-9-17-15(10-12-20-17)14(16)7-4-11-19-13-5-2-1-3-6-13/h1-3,5-6,8-9,18H,4,7,10-12H2
InChIKeyONTDNTABODSLIX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds5

About 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol

4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484905) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484905
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1ccc2c(c1CCCOc1ccccc1)CCO2
InChIInChI=1S/C17H18O3/c18-16-8-9-17-15(10-12-20-17)14(16)7-4-11-19-13-5-2-1-3-6-13/h1-3,5-6,8-9,18H,4,7,10-12H2
InChIKeyONTDNTABODSLIX-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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Related Compounds

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(2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluoromethyl)-8-oxatricyclo[7.4.0.0;{2,6}]trideca-1(9),10,12-trien-12-ol
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CID 11126311
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L 670630
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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol (CID 14484905) is 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol is Oc1ccc2c(c1CCCOc1ccccc1)CCO2.
What is the InChIKey of 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is ONTDNTABODSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16-8-9-17-15(10-12-20-17)14(16)7-4-11-19-13-5-2-1-3-6-13/h1-3,5-6,8-9,18H,4,7,10-12H2.
What are the key properties of 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
4-(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 4-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).