[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

C22H19NO6 — CID 18171085

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cccnc2Oc2ccccc2)cc1OC
InChIInChI=1S/C22H19NO6/c1-26-19-11-10-15(13-20(19)27-2)18(24)14-28-22(25)17-9-6-12-23-21(17)29-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3
InChIKeyBPKPCEZQVIIKCR-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.93
Rot. Bonds8

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 18171085) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
PubChem CID18171085
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cccnc2Oc2ccccc2)cc1OC
InChIInChI=1S/C22H19NO6/c1-26-19-11-10-15(13-20(19)27-2)18(24)14-28-22(25)17-9-6-12-23-21(17)29-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3
InChIKeyBPKPCEZQVIIKCR-UHFFFAOYSA-N
XLogP3.93
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 16617205
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2543120
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (CID 18171085) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is COc1ccc(C(=O)COC(=O)c2cccnc2Oc2ccccc2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is BPKPCEZQVIIKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-26-19-11-10-15(13-20(19)27-2)18(24)14-28-22(25)17-9-6-12-23-21(17)29-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 18171085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).