methyl 4-(2-methoxy-2-oxoethoxy)benzoate

C11H12O5 — CID 887006

IUPACmethyl 4-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H12O5/c1-14-10(12)7-16-9-5-3-8(4-6-9)11(13)15-2/h3-6H,7H2,1-2H3
InChIKeyKNKLWCHCJYAQKD-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.02
Rot. Bonds4

About methyl 4-(2-methoxy-2-oxoethoxy)benzoate

methyl 4-(2-methoxy-2-oxoethoxy)benzoate (PubChem CID 887006) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethoxy)benzoate
PubChem CID887006
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 4-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H12O5/c1-14-10(12)7-16-9-5-3-8(4-6-9)11(13)15-2/h3-6H,7H2,1-2H3
InChIKeyKNKLWCHCJYAQKD-UHFFFAOYSA-N
XLogP1.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethoxy)benzoate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethoxy)benzoate (CID 887006) is methyl 4-(2-methoxy-2-oxoethoxy)benzoate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethoxy)benzoate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethoxy)benzoate is COC(=O)COc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethoxy)benzoate?
The InChIKey is KNKLWCHCJYAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-14-10(12)7-16-9-5-3-8(4-6-9)11(13)15-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 4-(2-methoxy-2-oxoethoxy)benzoate?
methyl 4-(2-methoxy-2-oxoethoxy)benzoate has a molecular weight of 224.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethoxy)benzoate is sourced from PubChem (CID 887006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).