8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C16H15NO4 — CID 121389367

IUPAC8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)OCCO4)cncc21
InChIInChI=1S/C16H15NO4/c18-14-9-19-8-13-11(6-17-7-12(13)14)10-1-2-15-16(5-10)21-4-3-20-15/h1-2,5-7,14,18H,3-4,8-9H2
InChIKeyVJTMAWHOKFDMIO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.08
Rot. Bonds1

About 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389367) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389367
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4c(c3)OCCO4)cncc21
InChIInChI=1S/C16H15NO4/c18-14-9-19-8-13-11(6-17-7-12(13)14)10-1-2-15-16(5-10)21-4-3-20-15/h1-2,5-7,14,18H,3-4,8-9H2
InChIKeyVJTMAWHOKFDMIO-UHFFFAOYSA-N
XLogP2.08
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389367) is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is OC1COCc2c(-c3ccc4c(c3)OCCO4)cncc21.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is VJTMAWHOKFDMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-9-19-8-13-11(6-17-7-12(13)14)10-1-2-15-16(5-10)21-4-3-20-15/h1-2,5-7,14,18H,3-4,8-9H2.
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 285.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).