3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol

C14H19NO3 — CID 54906974

IUPAC3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCCOC1
InChIInChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2
InChIKeyGFTRCJUWRJJOFB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds3

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

3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 54906974) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID54906974
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC1CCCOC1
InChIInChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2
InChIKeyGFTRCJUWRJJOFB-UHFFFAOYSA-N
XLogP1.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 54906974) is 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is GFTRCJUWRJJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-3-4-12-13(9-18-14(12)6-11)15-7-10-2-1-5-17-8-10/h3-4,6,10,13,15-16H,1-2,5,7-9H2.
What are the key properties of 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 249.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 54906974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).