3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid

C11H12ClFO4 — CID 82727545

IUPAC3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1ccc(Cl)c(F)c1)C(=O)O
InChIInChI=1S/C11H12ClFO4/c1-2-16-10(11(14)15)6-17-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyWMFDAIIREHHTOC-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.35
Rot. Bonds6

About 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid

3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid (PubChem CID 82727545) has the molecular formula C11H12ClFO4 and a molecular weight of 262.66 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
PubChem CID82727545
Molecular FormulaC11H12ClFO4
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1ccc(Cl)c(F)c1)C(=O)O
InChIInChI=1S/C11H12ClFO4/c1-2-16-10(11(14)15)6-17-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyWMFDAIIREHHTOC-UHFFFAOYSA-N
XLogP2.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
CID 63074662
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid?
The IUPAC name of 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid (CID 82727545) is 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid.
What is the SMILES notation for 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid?
The canonical SMILES for 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid is CCOC(COc1ccc(Cl)c(F)c1)C(=O)O.
What is the InChIKey of 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid?
The InChIKey is WMFDAIIREHHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO4/c1-2-16-10(11(14)15)6-17-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6H2,1H3,(H,14,15).
What are the key properties of 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid?
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid has a molecular weight of 262.66 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid is sourced from PubChem (CID 82727545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).