2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid

C13H16O7 — CID 61327591

IUPAC2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c(OC)c1OC
InChIInChI=1S/C13H16O7/c1-17-10-5-4-8(12(18-2)13(10)19-3)9(14)6-20-7-11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyNYFRBUQAIKHYPT-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.00
Rot. Bonds8

About 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid

2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid (PubChem CID 61327591) has the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
PubChem CID61327591
Molecular FormulaC13H16O7
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c(OC)c1OC
InChIInChI=1S/C13H16O7/c1-17-10-5-4-8(12(18-2)13(10)19-3)9(14)6-20-7-11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyNYFRBUQAIKHYPT-UHFFFAOYSA-N
XLogP1.00
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 43588937
2-[2-(2-bromo-4,5-dimethoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327007
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 71264426
4-hydroxy-1-(2,3,4-trimethoxyphenyl)but-2-yn-1-one
CID 23050465

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid (CID 61327591) is 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid is COc1ccc(C(=O)COCC(=O)O)c(OC)c1OC.
What is the InChIKey of 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid?
The InChIKey is NYFRBUQAIKHYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O7/c1-17-10-5-4-8(12(18-2)13(10)19-3)9(14)6-20-7-11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid?
2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid has a molecular weight of 284.26 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid is sourced from PubChem (CID 61327591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).