(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate

C22H18O5 — CID 2935086

IUPAC(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O5/c1-14-13-18(23)26-15(2)19(14)22(25)27-21(17-11-7-4-8-12-17)20(24)16-9-5-3-6-10-16/h3-13,21H,1-2H3
InChIKeyRYYROFKYTUUAQI-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.04
Rot. Bonds5

About (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate

(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 2935086) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID2935086
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O5/c1-14-13-18(23)26-15(2)19(14)22(25)27-21(17-11-7-4-8-12-17)20(24)16-9-5-3-6-10-16/h3-13,21H,1-2H3
InChIKeyRYYROFKYTUUAQI-UHFFFAOYSA-N
XLogP4.04
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-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 (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 2935086) is (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate is Cc1cc(=O)oc(C)c1C(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is RYYROFKYTUUAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-14-13-18(23)26-15(2)19(14)22(25)27-21(17-11-7-4-8-12-17)20(24)16-9-5-3-6-10-16/h3-13,21H,1-2H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate?
(2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 2935086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).