2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid

C13H16O6 — CID 20697686

IUPAC2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
SMILESCC(C)c1ccc(OCC(=O)O)c(OCC(=O)O)c1
InChIInChI=1S/C13H16O6/c1-8(2)9-3-4-10(18-6-12(14)15)11(5-9)19-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBPOIFRSZPMNEGY-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.74
Rot. Bonds7

About 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid

2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid (PubChem CID 20697686) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
PubChem CID20697686
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
SMILESCC(C)c1ccc(OCC(=O)O)c(OCC(=O)O)c1
InChIInChI=1S/C13H16O6/c1-8(2)9-3-4-10(18-6-12(14)15)11(5-9)19-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBPOIFRSZPMNEGY-UHFFFAOYSA-N
XLogP1.74
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(carboxymethoxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]acetic acid
CID 70059281
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
CID 59134643
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid (CID 20697686) is 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid is CC(C)c1ccc(OCC(=O)O)c(OCC(=O)O)c1.
What is the InChIKey of 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid?
The InChIKey is BPOIFRSZPMNEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-8(2)9-3-4-10(18-6-12(14)15)11(5-9)19-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid?
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid is sourced from PubChem (CID 20697686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).