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

C20H15NO3 — CID 142675803

IUPAC2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccccc21
InChIInChI=1S/C20H15NO3/c22-17-13-19(24-18-9-2-1-8-16(17)18)14-6-5-7-15(12-14)23-20-10-3-4-11-21-20/h1-12,19H,13H2
InChIKeyHIKXFTUNPBGNSI-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.58
Rot. Bonds3

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

2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 142675803) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID142675803
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccccc21
InChIInChI=1S/C20H15NO3/c22-17-13-19(24-18-9-2-1-8-16(17)18)14-6-5-7-15(12-14)23-20-10-3-4-11-21-20/h1-12,19H,13H2
InChIKeyHIKXFTUNPBGNSI-UHFFFAOYSA-N
XLogP4.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one (CID 142675803) is 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(Oc3ccccn3)c2)Oc2ccccc21.
What is the InChIKey of 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is HIKXFTUNPBGNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-17-13-19(24-18-9-2-1-8-16(17)18)14-6-5-7-15(12-14)23-20-10-3-4-11-21-20/h1-12,19H,13H2.
What are the key properties of 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one?
2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 317.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 142675803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).