ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate

C14H11ClO4 — CID 12784904

IUPACethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)cc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H11ClO4/c1-2-18-14(17)13-8-11(16)7-12(19-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3
InChIKeyGLPRNEMALQDHND-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.14
Rot. Bonds3

About ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate

ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate (PubChem CID 12784904) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate
PubChem CID12784904
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Nameethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)cc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H11ClO4/c1-2-18-14(17)13-8-11(16)7-12(19-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3
InChIKeyGLPRNEMALQDHND-UHFFFAOYSA-N
XLogP3.14
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-nitrophenyl)-4-oxopyran-2-carboxylate
CID 12784909
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate
CID 132584585
ethyl 6-chloro-1-oxoisochromene-3-carboxylate
CID 165441479
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
CID 24751968
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate?
The IUPAC name of ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate (CID 12784904) is ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate?
The canonical SMILES for ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate is CCOC(=O)c1cc(=O)cc(-c2cccc(Cl)c2)o1.
What is the InChIKey of ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate?
The InChIKey is GLPRNEMALQDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c1-2-18-14(17)13-8-11(16)7-12(19-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate?
ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate has a molecular weight of 278.69 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate is sourced from PubChem (CID 12784904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).