2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid

C13H14O6 — CID 67378095

IUPAC2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
SMILESC=CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1
InChIInChI=1S/C13H14O6/c1-2-3-9-4-5-10(18-7-12(14)15)11(6-9)19-8-13(16)17/h2,4-6H,1,3,7-8H2,(H,14,15)(H,16,17)
InChIKeyQSNRJSXJVKHDBM-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.34
Rot. Bonds8

About 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid

2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid (PubChem CID 67378095) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
PubChem CID67378095
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
SMILESC=CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1
InChIInChI=1S/C13H14O6/c1-2-3-9-4-5-10(18-7-12(14)15)11(6-9)19-8-13(16)17/h2,4-6H,1,3,7-8H2,(H,14,15)(H,16,17)
InChIKeyQSNRJSXJVKHDBM-UHFFFAOYSA-N
XLogP1.34
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
CID 3026092
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198611
2-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetic acid
CID 102535724
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propanoic acid
CID 2526838
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid (CID 67378095) is 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid is C=CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1.
What is the InChIKey of 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid?
The InChIKey is QSNRJSXJVKHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c1-2-3-9-4-5-10(18-7-12(14)15)11(6-9)19-8-13(16)17/h2,4-6H,1,3,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid?
2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid has a molecular weight of 266.25 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid is sourced from PubChem (CID 67378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).