methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate

C20H16O4 — CID 164684371

IUPACmethyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(-c2ccccc2)c(-c2ccccc2)c1=O
InChIInChI=1S/C20H16O4/c1-13-16(20(22)23-2)18(21)17(14-9-5-3-6-10-14)19(24-13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyICWJUDJNFDVWTB-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.07
Rot. Bonds3

About methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate

methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate (PubChem CID 164684371) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
PubChem CID164684371
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(-c2ccccc2)c(-c2ccccc2)c1=O
InChIInChI=1S/C20H16O4/c1-13-16(20(22)23-2)18(21)17(14-9-5-3-6-10-14)19(24-13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyICWJUDJNFDVWTB-UHFFFAOYSA-N
XLogP4.07
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-3,4,6-triphenyl-6H-cyclopenta[c]furan-5-carboxylate
CID 102523923
4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
CID 164685853
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 15149452
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate
CID 11220371
methyl 5-(4-cyanophenyl)-2,4-dimethylfuran-3-carboxylate
CID 11149502
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate (CID 164684371) is methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate is COC(=O)c1c(C)oc(-c2ccccc2)c(-c2ccccc2)c1=O.
What is the InChIKey of methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate?
The InChIKey is ICWJUDJNFDVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13-16(20(22)23-2)18(21)17(14-9-5-3-6-10-14)19(24-13)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate?
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate is sourced from PubChem (CID 164684371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).