2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid

C11H14O5 — CID 83224228

IUPAC2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
SMILESCOc1cccc(C(OC)C(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-14-8-6-4-5-7(9(8)15-2)10(16-3)11(12)13/h4-6,10H,1-3H3,(H,12,13)
InChIKeyBRMSNLHGWMBUOA-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.48
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid

2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid (PubChem CID 83224228) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
PubChem CID83224228
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
SMILESCOc1cccc(C(OC)C(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-14-8-6-4-5-7(9(8)15-2)10(16-3)11(12)13/h4-6,10H,1-3H3,(H,12,13)
InChIKeyBRMSNLHGWMBUOA-UHFFFAOYSA-N
XLogP1.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377839
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
CID 83224989
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
(2S)-2-[amino-(2,3-dimethoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57363731
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid (CID 83224228) is 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid is COc1cccc(C(OC)C(=O)O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid?
The InChIKey is BRMSNLHGWMBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-8-6-4-5-7(9(8)15-2)10(16-3)11(12)13/h4-6,10H,1-3H3,(H,12,13).
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid?
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 83224228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).