6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione

C17H15NO4 — CID 135638868

IUPAC6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc(=O)oc2ccn(CCc3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C17H15NO4/c1-11-10-15(20)22-14-7-9-18(17(21)16(11)14)8-6-12-2-4-13(19)5-3-12/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyOZUUTYOAEQXBAP-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds3

About 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione

6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 135638868) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID135638868
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc(=O)oc2ccn(CCc3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C17H15NO4/c1-11-10-15(20)22-14-7-9-18(17(21)16(11)14)8-6-12-2-4-13(19)5-3-12/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyOZUUTYOAEQXBAP-UHFFFAOYSA-N
XLogP2.21
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione (CID 135638868) is 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione is Cc1cc(=O)oc2ccn(CCc3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is OZUUTYOAEQXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-10-15(20)22-14-7-9-18(17(21)16(11)14)8-6-12-2-4-13(19)5-3-12/h2-5,7,9-10,19H,6,8H2,1H3.
What are the key properties of 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 297.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 135638868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).