6-benzyl-2,3-dihydro-1-benzofuran-5-ol

C15H14O2 — CID 14484913

IUPAC6-benzyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Cc1ccccc1)OCC2
InChIInChI=1S/C15H14O2/c16-14-9-12-6-7-17-15(12)10-13(14)8-11-4-2-1-3-5-11/h1-5,9-10,16H,6-8H2
InChIKeyITYAIVIXGRVYIN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.92
Rot. Bonds2

About 6-benzyl-2,3-dihydro-1-benzofuran-5-ol

6-benzyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484913) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-benzyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-benzyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484913
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name6-benzyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Cc1ccccc1)OCC2
InChIInChI=1S/C15H14O2/c16-14-9-12-6-7-17-15(12)10-13(14)8-11-4-2-1-3-5-11/h1-5,9-10,16H,6-8H2
InChIKeyITYAIVIXGRVYIN-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-benzyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484913) is 6-benzyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-benzyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-benzyl-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1Cc1ccccc1)OCC2.
What is the InChIKey of 6-benzyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is ITYAIVIXGRVYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-14-9-12-6-7-17-15(12)10-13(14)8-11-4-2-1-3-5-11/h1-5,9-10,16H,6-8H2.
What are the key properties of 6-benzyl-2,3-dihydro-1-benzofuran-5-ol?
6-benzyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 226.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).