3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one

C20H19NO3 — CID 44591880

IUPAC3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CNCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H19NO3/c1-14-11-18(22)20(23)19(24-14)13-21-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,21,23H,12-13H2,1H3
InChIKeyWVAADEFBDRAILG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.61
Rot. Bonds5

About 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one

3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one (PubChem CID 44591880) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one
PubChem CID44591880
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CNCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H19NO3/c1-14-11-18(22)20(23)19(24-14)13-21-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,21,23H,12-13H2,1H3
InChIKeyWVAADEFBDRAILG-UHFFFAOYSA-N
XLogP3.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one (CID 44591880) is 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one is Cc1cc(=O)c(O)c(CNCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one?
The InChIKey is WVAADEFBDRAILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-11-18(22)20(23)19(24-14)13-21-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,21,23H,12-13H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[[(4-phenylphenyl)methylamino]methyl]pyran-4-one is sourced from PubChem (CID 44591880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).