methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate

C13H16O5 — CID 164678824

IUPACmethyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
SMILESCCOC(=O)Cc1cccc(C(=O)OC)c1OC
InChIInChI=1S/C13H16O5/c1-4-18-11(14)8-9-6-5-7-10(12(9)16-2)13(15)17-3/h5-7H,4,8H2,1-3H3
InChIKeySGCLTAYOZGQIKY-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.59
Rot. Bonds5

About methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate

methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate (PubChem CID 164678824) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
PubChem CID164678824
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namemethyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
SMILESCCOC(=O)Cc1cccc(C(=O)OC)c1OC
InChIInChI=1S/C13H16O5/c1-4-18-11(14)8-9-6-5-7-10(12(9)16-2)13(15)17-3/h5-7H,4,8H2,1-3H3
InChIKeySGCLTAYOZGQIKY-UHFFFAOYSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
CID 90953243
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
4-[3-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]benzoic acid
CID 68632003
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-cyano-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134649646
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[3-sulfanyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999403
diethyl 3-[(2-methoxycarbonylbenzoyl)oxymethyl]benzene-1,2-dicarboxylate
CID 155452030
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate?
The IUPAC name of methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate (CID 164678824) is methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate is CCOC(=O)Cc1cccc(C(=O)OC)c1OC.
What is the InChIKey of methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate?
The InChIKey is SGCLTAYOZGQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-4-18-11(14)8-9-6-5-7-10(12(9)16-2)13(15)17-3/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate?
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate has a molecular weight of 252.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate is sourced from PubChem (CID 164678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).