methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate

C21H18O4 — CID 102359715

IUPACmethyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate
SMILESCCc1oc(=O)c(C(=O)OC)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O4/c1-3-19-17(13-18(20(22)24-2)21(23)25-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyRZXVXSKTLYKTLB-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.32
Rot. Bonds4

About methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate

methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate (PubChem CID 102359715) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate
PubChem CID102359715
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Namemethyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate
SMILESCCc1oc(=O)c(C(=O)OC)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O4/c1-3-19-17(13-18(20(22)24-2)21(23)25-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyRZXVXSKTLYKTLB-UHFFFAOYSA-N
XLogP4.32
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate
CID 102359711
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
methyl 5-iodo-2-oxo-6-phenylpyran-3-carboxylate
CID 154717333
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
methyl 2-(aminomethyl)-5-phenylfuran-3-carboxylate
CID 885353
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
CID 68514199

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate?
The IUPAC name of methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate (CID 102359715) is methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate.
What is the SMILES notation for methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate?
The canonical SMILES for methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate is CCc1oc(=O)c(C(=O)OC)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate?
The InChIKey is RZXVXSKTLYKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-3-19-17(13-18(20(22)24-2)21(23)25-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3.
What are the key properties of methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate?
methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate is sourced from PubChem (CID 102359715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).