methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate

C14H12O5 — CID 14000298

IUPACmethyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
SMILESCOC(=O)c1c(OC)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C14H12O5/c1-17-11-8-10(9-6-4-3-5-7-9)19-14(16)12(11)13(15)18-2/h3-8H,1-2H3
InChIKeyIEDRAGWLDWLGSG-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.10
Rot. Bonds3

About methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate

methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate (PubChem CID 14000298) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
PubChem CID14000298
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namemethyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
SMILESCOC(=O)c1c(OC)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C14H12O5/c1-17-11-8-10(9-6-4-3-5-7-9)19-14(16)12(11)13(15)18-2/h3-8H,1-2H3
InChIKeyIEDRAGWLDWLGSG-UHFFFAOYSA-N
XLogP2.10
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
methyl 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxylate
CID 14000272
methyl 7-acetyloxy-1-oxo-3-phenylisochromene-8-carboxylate
CID 13466306
methyl 1-oxo-3-phenylisochromene-8-carboxylate
CID 13466316
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2-methoxy-6-phenylpyran-4-one
CID 568371
methyl 3-methoxy-5-(4-nitrophenyl)furan-2-carboxylate
CID 53253836
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
methyl 5-phenylfuran-3-carboxylate
CID 10130413
methyl 2-(aminomethyl)-5-phenylfuran-3-carboxylate
CID 885353
N-(7-methoxy-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366062
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate?
The IUPAC name of methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate (CID 14000298) is methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate is COC(=O)c1c(OC)cc(-c2ccccc2)oc1=O.
What is the InChIKey of methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate?
The InChIKey is IEDRAGWLDWLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-17-11-8-10(9-6-4-3-5-7-9)19-14(16)12(11)13(15)18-2/h3-8H,1-2H3.
What are the key properties of methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate?
methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate is sourced from PubChem (CID 14000298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).