7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one

C17H15NO4 — CID 46225004

IUPAC7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one
SMILESCc1cccc(OCCc2cc(=O)oc3cc(O)ccc23)n1
InChIInChI=1S/C17H15NO4/c1-11-3-2-4-16(18-11)21-8-7-12-9-17(20)22-15-10-13(19)5-6-14(12)15/h2-6,9-10,19H,7-8H2,1H3
InChIKeyIMMLBFMULZMZKS-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.82
Rot. Bonds4

About 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one

7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one (PubChem CID 46225004) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one
PubChem CID46225004
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one
SMILESCc1cccc(OCCc2cc(=O)oc3cc(O)ccc23)n1
InChIInChI=1S/C17H15NO4/c1-11-3-2-4-16(18-11)21-8-7-12-9-17(20)22-15-10-13(19)5-6-14(12)15/h2-6,9-10,19H,7-8H2,1H3
InChIKeyIMMLBFMULZMZKS-UHFFFAOYSA-N
XLogP2.82
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one (CID 46225004) is 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one is Cc1cccc(OCCc2cc(=O)oc3cc(O)ccc23)n1.
What is the InChIKey of 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one?
The InChIKey is IMMLBFMULZMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-3-2-4-16(18-11)21-8-7-12-9-17(20)22-15-10-13(19)5-6-14(12)15/h2-6,9-10,19H,7-8H2,1H3.
What are the key properties of 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one?
7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]chromen-2-one is sourced from PubChem (CID 46225004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).