3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid

C14H20O5 — CID 117424467

IUPAC3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
SMILESCOCc1ccc(OC)c(CC(C)C(=O)O)c1OC
InChIInChI=1S/C14H20O5/c1-9(14(15)16)7-11-12(18-3)6-5-10(8-17-2)13(11)19-4/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyCZHVZHSNXDLMFL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.11
Rot. Bonds7

About 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid

3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid (PubChem CID 117424467) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
PubChem CID117424467
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
SMILESCOCc1ccc(OC)c(CC(C)C(=O)O)c1OC
InChIInChI=1S/C14H20O5/c1-9(14(15)16)7-11-12(18-3)6-5-10(8-17-2)13(11)19-4/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyCZHVZHSNXDLMFL-UHFFFAOYSA-N
XLogP2.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 103524126
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
CID 84792120
2-amino-3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid
CID 117426358
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383598

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid (CID 117424467) is 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid is COCc1ccc(OC)c(CC(C)C(=O)O)c1OC.
What is the InChIKey of 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is CZHVZHSNXDLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(14(15)16)7-11-12(18-3)6-5-10(8-17-2)13(11)19-4/h5-6,9H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid?
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 117424467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).