2-[(3,4-dimethoxyphenyl)methoxy]acetic acid

C11H14O5 — CID 10727925

IUPAC2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
SMILESCOc1ccc(COCC(=O)O)cc1OC
InChIInChI=1S/C11H14O5/c1-14-9-4-3-8(5-10(9)15-2)6-16-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyJMVIWVWKEYPMIG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.30
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid

2-[(3,4-dimethoxyphenyl)methoxy]acetic acid (PubChem CID 10727925) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
PubChem CID10727925
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
SMILESCOc1ccc(COCC(=O)O)cc1OC
InChIInChI=1S/C11H14O5/c1-14-9-4-3-8(5-10(9)15-2)6-16-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyJMVIWVWKEYPMIG-UHFFFAOYSA-N
XLogP1.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one
CID 163842520
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
(3,4-dimethoxyphenyl)methyl nitrate;methoxymethane
CID 174862254

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid (CID 10727925) is 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid is COc1ccc(COCC(=O)O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid?
The InChIKey is JMVIWVWKEYPMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-9-4-3-8(5-10(9)15-2)6-16-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid?
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methoxy]acetic acid is sourced from PubChem (CID 10727925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).