7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one

C17H15NO4 — CID 121389428

IUPAC7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3cncc4c3COCC4O)ccc21
InChIInChI=1S/C17H15NO4/c19-15-3-4-22-17-5-10(1-2-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,16,20H,3-4,8-9H2
InChIKeyHGPDWJQQQQKWTI-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.28
Rot. Bonds1

About 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one

7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one (PubChem CID 121389428) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one
PubChem CID121389428
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(-c3cncc4c3COCC4O)ccc21
InChIInChI=1S/C17H15NO4/c19-15-3-4-22-17-5-10(1-2-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,16,20H,3-4,8-9H2
InChIKeyHGPDWJQQQQKWTI-UHFFFAOYSA-N
XLogP2.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one (CID 121389428) is 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one is O=C1CCOc2cc(-c3cncc4c3COCC4O)ccc21.
What is the InChIKey of 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one?
The InChIKey is HGPDWJQQQQKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-15-3-4-22-17-5-10(1-2-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,16,20H,3-4,8-9H2.
What are the key properties of 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one?
7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one has a molecular weight of 297.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 121389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).