4-(4-methoxyanilino)-6-phenylpyran-2-one

C18H15NO3 — CID 52918104

IUPAC4-(4-methoxyanilino)-6-phenylpyran-2-one
SMILESCOc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1
InChIInChI=1S/C18H15NO3/c1-21-16-9-7-14(8-10-16)19-15-11-17(22-18(20)12-15)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyKKGIMOJRNPWEIQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-methoxyanilino)-6-phenylpyran-2-one

4-(4-methoxyanilino)-6-phenylpyran-2-one (PubChem CID 52918104) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-6-phenylpyran-2-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-6-phenylpyran-2-one
PubChem CID52918104
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-(4-methoxyanilino)-6-phenylpyran-2-one
SMILESCOc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1
InChIInChI=1S/C18H15NO3/c1-21-16-9-7-14(8-10-16)19-15-11-17(22-18(20)12-15)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyKKGIMOJRNPWEIQ-UHFFFAOYSA-N
XLogP4.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyanilino)-6-phenylpyran-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 4-(4-methoxyanilino)-6-phenylpyran-2-one?
The IUPAC name of 4-(4-methoxyanilino)-6-phenylpyran-2-one (CID 52918104) is 4-(4-methoxyanilino)-6-phenylpyran-2-one.
What is the SMILES notation for 4-(4-methoxyanilino)-6-phenylpyran-2-one?
The canonical SMILES for 4-(4-methoxyanilino)-6-phenylpyran-2-one is COc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-6-phenylpyran-2-one?
The InChIKey is KKGIMOJRNPWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-16-9-7-14(8-10-16)19-15-11-17(22-18(20)12-15)13-5-3-2-4-6-13/h2-12,19H,1H3.
What are the key properties of 4-(4-methoxyanilino)-6-phenylpyran-2-one?
4-(4-methoxyanilino)-6-phenylpyran-2-one has a molecular weight of 293.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-6-phenylpyran-2-one is sourced from PubChem (CID 52918104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).