5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C17H17NO4 — CID 70688141

IUPAC5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O
InChIInChI=1S/C17H17NO4/c1-17(2)12-8-9-18(15(20)14(12)16(21)22-17)10-13(19)11-6-4-3-5-7-11/h3-9,13,19H,10H2,1-2H3
InChIKeyURIGFGDJKDAZGT-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds3

About 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70688141) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70688141
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O
InChIInChI=1S/C17H17NO4/c1-17(2)12-8-9-18(15(20)14(12)16(21)22-17)10-13(19)11-6-4-3-5-7-11/h3-9,13,19H,10H2,1-2H3
InChIKeyURIGFGDJKDAZGT-UHFFFAOYSA-N
XLogP1.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602427
5-(2-Hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
CID 71602429
5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71744954
1-[hydroxy(phenyl)methyl]-4-oxo-4H-quinolizine-3-carboxylic acid
CID 45279719
5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70686013
5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690179
1,1-dimethyl-5-phenethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694388
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602491
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602492
5'-(2-Hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione
CID 73347303
1-Cyclopropyl-2-oxo-5-[3-(propan-2-yloxymethyl)phenyl]pyridine-3-carboxylic acid
CID 132389614
benzyl 2-[(E)-6-ethoxy-6-oxohex-4-enyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15755993

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70688141) is 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O.
What is the InChIKey of 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is URIGFGDJKDAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(2)12-8-9-18(15(20)14(12)16(21)22-17)10-13(19)11-6-4-3-5-7-11/h3-9,13,19H,10H2,1-2H3.
What are the key properties of 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylethyl)-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70688141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).