5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C17H17NO4 — CID 70686013

IUPAC5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccc(O)cc1)c2=O
InChIInChI=1S/C17H17NO4/c1-17(2)13-8-10-18(15(20)14(13)16(21)22-17)9-7-11-3-5-12(19)6-4-11/h3-6,8,10,19H,7,9H2,1-2H3
InChIKeyCMGQHDVSYBWUHN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.20
Rot. Bonds3

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

5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70686013) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70686013
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CCc1ccc(O)cc1)c2=O
InChIInChI=1S/C17H17NO4/c1-17(2)13-8-10-18(15(20)14(13)16(21)22-17)9-7-11-3-5-12(19)6-4-11/h3-6,8,10,19H,7,9H2,1-2H3
InChIKeyCMGQHDVSYBWUHN-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

decyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 137639906
5-(2-hydroxy-2-phenylethyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70688141
5-(2-Hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
CID 71602429
5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70681763
5'-(2-Hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione
CID 73347303
pent-4-enyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 137654287
ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 90667378
Ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
CID 90667379
ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
CID 90667392
Methyl 5-bromo-1-[2-(4-hydroxyphenyl)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 1384792
ethyl 8-(4-hydroxyphenyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
CID 86696753
methyl 8-(3-fluoro-4-hydroxyphenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
CID 86696762

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70686013) is 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(CCc1ccc(O)cc1)c2=O.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is CMGQHDVSYBWUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(2)13-8-10-18(15(20)14(13)16(21)22-17)9-7-11-3-5-12(19)6-4-11/h3-6,8,10,19H,7,9H2,1-2H3.
What are the key properties of 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 299.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70686013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).