6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one

C20H15NO4 — CID 69016686

IUPAC6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccc(O)cc21
InChIInChI=1S/C20H15NO4/c22-14-7-8-18-16(11-14)17(23)12-19(25-18)13-4-3-5-15(10-13)24-20-6-1-2-9-21-20/h1-11,19,22H,12H2
InChIKeyHTWOIVVDGYRJQL-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.29
Rot. Bonds3

About 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one

6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 69016686) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID69016686
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccc(O)cc21
InChIInChI=1S/C20H15NO4/c22-14-7-8-18-16(11-14)17(23)12-19(25-18)13-4-3-5-15(10-13)24-20-6-1-2-9-21-20/h1-11,19,22H,12H2
InChIKeyHTWOIVVDGYRJQL-UHFFFAOYSA-N
XLogP4.29
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one (CID 69016686) is 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is HTWOIVVDGYRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-14-7-8-18-16(11-14)17(23)12-19(25-18)13-4-3-5-15(10-13)24-20-6-1-2-9-21-20/h1-11,19,22H,12H2.
What are the key properties of 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 333.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69016686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).