(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C17H17NO5 — CID 125428741

IUPAC(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1O
InChIInChI=1S/C17H17NO5/c1-9-6-14-16(17(21)18(9)2)11(8-15(20)23-14)10-4-5-12(19)13(7-10)22-3/h4-7,11,19H,8H2,1-3H3/t11-/m1/s1
InChIKeyWUUZAZRMTYLIPG-LLVKDONJSA-N
MW315.33 g/mol
LogP1.85
Rot. Bonds2

About (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125428741) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125428741
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1O
InChIInChI=1S/C17H17NO5/c1-9-6-14-16(17(21)18(9)2)11(8-15(20)23-14)10-4-5-12(19)13(7-10)22-3/h4-7,11,19H,8H2,1-3H3/t11-/m1/s1
InChIKeyWUUZAZRMTYLIPG-LLVKDONJSA-N
XLogP1.85
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428479
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125432766
4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 102564540
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 99998666
(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428594
(4R)-4-(4-methoxynaphthalen-1-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433547
(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433350
(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 166157644
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 128962758

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125428741) is (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1O.
What is the InChIKey of (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is WUUZAZRMTYLIPG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO5/c1-9-6-14-16(17(21)18(9)2)11(8-15(20)23-14)10-4-5-12(19)13(7-10)22-3/h4-7,11,19H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 315.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125428741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).