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

C18H15NO3 — CID 54583087

IUPAC4-(2-methoxyanilino)-6-phenylpyran-2-one
SMILESCOc1ccccc1Nc1cc(-c2ccccc2)oc(=O)c1
InChIInChI=1S/C18H15NO3/c1-21-16-10-6-5-9-15(16)19-14-11-17(22-18(20)12-14)13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyLCSRYUPBSAJNTG-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.06
Rot. Bonds4

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

4-(2-methoxyanilino)-6-phenylpyran-2-one (PubChem CID 54583087) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-6-phenylpyran-2-one.

Molecular Properties

Compound Name4-(2-methoxyanilino)-6-phenylpyran-2-one
PubChem CID54583087
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-(2-methoxyanilino)-6-phenylpyran-2-one
SMILESCOc1ccccc1Nc1cc(-c2ccccc2)oc(=O)c1
InChIInChI=1S/C18H15NO3/c1-21-16-10-6-5-9-15(16)19-14-11-17(22-18(20)12-14)13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyLCSRYUPBSAJNTG-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-6-phenylpyran-2-one?
The IUPAC name of 4-(2-methoxyanilino)-6-phenylpyran-2-one (CID 54583087) is 4-(2-methoxyanilino)-6-phenylpyran-2-one.
What is the SMILES notation for 4-(2-methoxyanilino)-6-phenylpyran-2-one?
The canonical SMILES for 4-(2-methoxyanilino)-6-phenylpyran-2-one is COc1ccccc1Nc1cc(-c2ccccc2)oc(=O)c1.
What is the InChIKey of 4-(2-methoxyanilino)-6-phenylpyran-2-one?
The InChIKey is LCSRYUPBSAJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-16-10-6-5-9-15(16)19-14-11-17(22-18(20)12-14)13-7-3-2-4-8-13/h2-12,19H,1H3.
What are the key properties of 4-(2-methoxyanilino)-6-phenylpyran-2-one?
4-(2-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-(2-methoxyanilino)-6-phenylpyran-2-one is sourced from PubChem (CID 54583087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).