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

C17H17NO4 — CID 121389346

IUPAC8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1CCOc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C17H17NO4/c19-15-3-4-22-17-2-1-10(5-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,15-16,19-20H,3-4,8-9H2
InChIKeyAFFQBEHBWKKGNU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.13
Rot. Bonds1

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

8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389346) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389346
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1CCOc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C17H17NO4/c19-15-3-4-22-17-2-1-10(5-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,15-16,19-20H,3-4,8-9H2
InChIKeyAFFQBEHBWKKGNU-UHFFFAOYSA-N
XLogP2.13
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389346) is 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is OC1CCOc2ccc(-c3cncc4c3COCC4O)cc21.
What is the InChIKey of 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is AFFQBEHBWKKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-15-3-4-22-17-2-1-10(5-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,15-16,19-20H,3-4,8-9H2.
What are the key properties of 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 299.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).