8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C18H19NO3 — CID 121389445

IUPAC8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCC1(C)COc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C18H19NO3/c1-18(2)10-22-17-4-3-11(5-15(17)18)12-6-19-7-13-14(12)8-21-9-16(13)20/h3-7,16,20H,8-10H2,1-2H3
InChIKeyFIBNYQJKHDZXOJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.98
Rot. Bonds1

About 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389445) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389445
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCC1(C)COc2ccc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C18H19NO3/c1-18(2)10-22-17-4-3-11(5-15(17)18)12-6-19-7-13-14(12)8-21-9-16(13)20/h3-7,16,20H,8-10H2,1-2H3
InChIKeyFIBNYQJKHDZXOJ-UHFFFAOYSA-N
XLogP2.98
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389445) is 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is CC1(C)COc2ccc(-c3cncc4c3COCC4O)cc21.
What is the InChIKey of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is FIBNYQJKHDZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2)10-22-17-4-3-11(5-15(17)18)12-6-19-7-13-14(12)8-21-9-16(13)20/h3-7,16,20H,8-10H2,1-2H3.
What are the key properties of 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 297.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).