2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid

C11H13FO5 — CID 155453839

IUPAC2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid
SMILESCCOC(O)c1c(F)cccc1OCC(=O)O
InChIInChI=1S/C11H13FO5/c1-2-16-11(15)10-7(12)4-3-5-8(10)17-6-9(13)14/h3-5,11,15H,2,6H2,1H3,(H,13,14)
InChIKeyOYBMIAGAGOXGMM-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.32
Rot. Bonds6

About 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid

2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid (PubChem CID 155453839) has the molecular formula C11H13FO5 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid
PubChem CID155453839
Molecular FormulaC11H13FO5
Molecular Weight244.22 g/mol
Exact Mass244.07
IUPAC Name2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid
SMILESCCOC(O)c1c(F)cccc1OCC(=O)O
InChIInChI=1S/C11H13FO5/c1-2-16-11(15)10-7(12)4-3-5-8(10)17-6-9(13)14/h3-5,11,15H,2,6H2,1H3,(H,13,14)
InChIKeyOYBMIAGAGOXGMM-UHFFFAOYSA-N
XLogP1.32
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid?
The IUPAC name of 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid (CID 155453839) is 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid is CCOC(O)c1c(F)cccc1OCC(=O)O.
What is the InChIKey of 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid?
The InChIKey is OYBMIAGAGOXGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5/c1-2-16-11(15)10-7(12)4-3-5-8(10)17-6-9(13)14/h3-5,11,15H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid?
2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid has a molecular weight of 244.22 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethoxy(hydroxy)methyl]-3-fluorophenoxy]acetic acid is sourced from PubChem (CID 155453839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).