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

C18H19NO4 — CID 121389348

IUPAC8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCC1(O)CCOc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C18H19NO4/c1-18(21)4-5-23-17-3-2-11(6-15(17)18)12-7-19-8-13-14(12)9-22-10-16(13)20/h2-3,6-8,16,20-21H,4-5,9-10H2,1H3
InChIKeyIGDLTZHCDYWUSW-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.30
Rot. Bonds1

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

8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389348) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389348
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCC1(O)CCOc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C18H19NO4/c1-18(21)4-5-23-17-3-2-11(6-15(17)18)12-7-19-8-13-14(12)9-22-10-16(13)20/h2-3,6-8,16,20-21H,4-5,9-10H2,1H3
InChIKeyIGDLTZHCDYWUSW-UHFFFAOYSA-N
XLogP2.30
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389348) is 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is CC1(O)CCOc2ccc(-c3cncc4c3COCC4O)cc21.
What is the InChIKey of 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is IGDLTZHCDYWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(21)4-5-23-17-3-2-11(6-15(17)18)12-7-19-8-13-14(12)9-22-10-16(13)20/h2-3,6-8,16,20-21H,4-5,9-10H2,1H3.
What are the key properties of 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 313.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-4-methyl-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).