2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid

C12H16O5 — CID 112514494

IUPAC2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(OC)c(C(C)OCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-8(17-7-12(13)14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyUBEHIBPLHJCONS-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.87
Rot. Bonds6

About 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid

2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid (PubChem CID 112514494) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
PubChem CID112514494
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(OC)c(C(C)OCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-8(17-7-12(13)14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyUBEHIBPLHJCONS-UHFFFAOYSA-N
XLogP1.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067105
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223416
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
3,4-diamino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 116942774
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
1-(2,5-dimethoxyphenyl)ethyl methanesulfonate
CID 102620734
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid (CID 112514494) is 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid is COc1ccc(OC)c(C(C)OCC(=O)O)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The InChIKey is UBEHIBPLHJCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(17-7-12(13)14)10-6-9(15-2)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid is sourced from PubChem (CID 112514494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).