5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one

C14H15NO3 — CID 10243594

IUPAC5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
SMILESCN1CCCC2=C1C(=O)OC2c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3
InChIKeyKMWYWIJSKXMXGY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one

5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one (PubChem CID 10243594) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
PubChem CID10243594
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
SMILESCN1CCCC2=C1C(=O)OC2c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3
InChIKeyKMWYWIJSKXMXGY-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cepmzpqdavmkil-uhfffaoysa-
CID 10398995
Tert-butyl 2-[2-(4-hydroxyphenyl)morpholin-4-yl]propanoate
CID 140219525
(5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-furo[3,4-b]pyridin-7-one
CID 162912359
(5R)-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
CID 162925221

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one (CID 10243594) is 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one is CN1CCCC2=C1C(=O)OC2c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
The InChIKey is KMWYWIJSKXMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-8-2-3-11-12(15)14(17)18-13(11)9-4-6-10(16)7-5-9/h4-7,13,16H,2-3,8H2,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one?
5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one has a molecular weight of 245.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one is sourced from PubChem (CID 10243594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).