methyl 2-oxo-4,6-diphenylpyran-3-carboxylate

C19H14O4 — CID 138984792

IUPACmethyl 2-oxo-4,6-diphenylpyran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H14O4/c1-22-18(20)17-15(13-8-4-2-5-9-13)12-16(23-19(17)21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRNGJWUPZHAHRBZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.76
Rot. Bonds3

About methyl 2-oxo-4,6-diphenylpyran-3-carboxylate

methyl 2-oxo-4,6-diphenylpyran-3-carboxylate (PubChem CID 138984792) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 2-oxo-4,6-diphenylpyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4,6-diphenylpyran-3-carboxylate
PubChem CID138984792
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Namemethyl 2-oxo-4,6-diphenylpyran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H14O4/c1-22-18(20)17-15(13-8-4-2-5-9-13)12-16(23-19(17)21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRNGJWUPZHAHRBZ-UHFFFAOYSA-N
XLogP3.76
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-oxo-4,6-diphenylpyran-3-carboxylate 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 methyl 2-oxo-4,6-diphenylpyran-3-carboxylate?
The IUPAC name of methyl 2-oxo-4,6-diphenylpyran-3-carboxylate (CID 138984792) is methyl 2-oxo-4,6-diphenylpyran-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-4,6-diphenylpyran-3-carboxylate?
The canonical SMILES for methyl 2-oxo-4,6-diphenylpyran-3-carboxylate is COC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)oc1=O.
What is the InChIKey of methyl 2-oxo-4,6-diphenylpyran-3-carboxylate?
The InChIKey is RNGJWUPZHAHRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-18(20)17-15(13-8-4-2-5-9-13)12-16(23-19(17)21)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of methyl 2-oxo-4,6-diphenylpyran-3-carboxylate?
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-4,6-diphenylpyran-3-carboxylate is sourced from PubChem (CID 138984792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).