2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid

C11H12O5 — CID 11064066

IUPAC2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
SMILESCOC(=O)Cc1cccc(OC)c1C(=O)O
InChIInChI=1S/C11H12O5/c1-15-8-5-3-4-7(6-9(12)16-2)10(8)11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyMIBQRUFENWORDK-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.11
Rot. Bonds4

About 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid

2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid (PubChem CID 11064066) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
PubChem CID11064066
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
SMILESCOC(=O)Cc1cccc(OC)c1C(=O)O
InChIInChI=1S/C11H12O5/c1-15-8-5-3-4-7(6-9(12)16-2)10(8)11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyMIBQRUFENWORDK-UHFFFAOYSA-N
XLogP1.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-3-iodoprop-2-enyl]-6-methoxybenzoic acid
CID 11151283
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
2-decyl-6-methoxybenzoic acid
CID 20757679
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
2-methoxy-6-(4-methoxy-4-oxobut-1-ynyl)benzoic acid
CID 170470065
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate
CID 168596645
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid?
The IUPAC name of 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid (CID 11064066) is 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid?
The canonical SMILES for 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid is COC(=O)Cc1cccc(OC)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid?
The InChIKey is MIBQRUFENWORDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-15-8-5-3-4-7(6-9(12)16-2)10(8)11(13)14/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid?
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid is sourced from PubChem (CID 11064066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).