2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid

C13H18O5 — CID 83223416

IUPAC2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18O5/c1-4-7-18-12(13(14)15)10-8-9(16-2)5-6-11(10)17-3/h5-6,8,12H,4,7H2,1-3H3,(H,14,15)
InChIKeyMZQJDMLYTMWSMH-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.26
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid

2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid (PubChem CID 83223416) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
PubChem CID83223416
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18O5/c1-4-7-18-12(13(14)15)10-8-9(16-2)5-6-11(10)17-3/h5-6,8,12H,4,7H2,1-3H3,(H,14,15)
InChIKeyMZQJDMLYTMWSMH-UHFFFAOYSA-N
XLogP2.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
2-(2-bromo-4,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223781
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
ethyl (3S)-3-amino-3-(2,5-dimethoxyphenyl)-2-fluoropropanoate
CID 171246365
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid (CID 83223416) is 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid?
The InChIKey is MZQJDMLYTMWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-7-18-12(13(14)15)10-8-9(16-2)5-6-11(10)17-3/h5-6,8,12H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid?
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid has a molecular weight of 254.28 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83223416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).