1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one

C21H21NO2 — CID 67327231

IUPAC1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one
SMILESCN1C=CC=CC1.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H12O2.C6H9N/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-7-5-3-2-4-6-7/h1-9,15H,10H2;2-5H,6H2,1H3
InChIKeyJQEUEPDHHHFXQH-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.39
Rot. Bonds1

About 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one

1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 67327231) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one
PubChem CID67327231
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one
SMILESCN1C=CC=CC1.O=C1CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H12O2.C6H9N/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-7-5-3-2-4-6-7/h1-9,15H,10H2;2-5H,6H2,1H3
InChIKeyJQEUEPDHHHFXQH-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one (CID 67327231) is 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one is CN1C=CC=CC1.O=C1CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is JQEUEPDHHHFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C6H9N/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-7-5-3-2-4-6-7/h1-9,15H,10H2;2-5H,6H2,1H3.
What are the key properties of 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one?
1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 319.40 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine;2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 67327231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).