methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate

C20H22O5 — CID 141101425

IUPACmethyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
SMILESCCc1cccc(C(=O)c2ccc(OC)cc2)c1C(OC)C(=O)OC
InChIInChI=1S/C20H22O5/c1-5-13-7-6-8-16(17(13)19(24-3)20(22)25-4)18(21)14-9-11-15(23-2)12-10-14/h6-12,19H,5H2,1-4H3
InChIKeyXJIAJEWLODQKIH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.35
Rot. Bonds7

About methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate

methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate (PubChem CID 141101425) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
PubChem CID141101425
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Namemethyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
SMILESCCc1cccc(C(=O)c2ccc(OC)cc2)c1C(OC)C(=O)OC
InChIInChI=1S/C20H22O5/c1-5-13-7-6-8-16(17(13)19(24-3)20(22)25-4)18(21)14-9-11-15(23-2)12-10-14/h6-12,19H,5H2,1-4H3
InChIKeyXJIAJEWLODQKIH-UHFFFAOYSA-N
XLogP3.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-bromo-6-(4-methoxybenzoyl)phenyl]-2-(methoxymethoxy)acetate
CID 141101401
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
CID 152779914
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
CID 110613344
(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300318
diethyl 4-(4-methoxybenzoyl)thiophene-2,3-dicarboxylate
CID 54753916
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate?
The IUPAC name of methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate (CID 141101425) is methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate is CCc1cccc(C(=O)c2ccc(OC)cc2)c1C(OC)C(=O)OC.
What is the InChIKey of methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate?
The InChIKey is XJIAJEWLODQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-5-13-7-6-8-16(17(13)19(24-3)20(22)25-4)18(21)14-9-11-15(23-2)12-10-14/h6-12,19H,5H2,1-4H3.
What are the key properties of methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate?
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate has a molecular weight of 342.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate is sourced from PubChem (CID 141101425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).