2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid

C15H12F2O4 — CID 21274138

IUPAC2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccccc1Oc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C15H12F2O4/c1-9(15(18)19)20-11-6-2-3-7-12(11)21-13-8-4-5-10(16)14(13)17/h2-9H,1H3,(H,18,19)
InChIKeyROWOIJNUPYABNG-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid

2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid (PubChem CID 21274138) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
PubChem CID21274138
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccccc1Oc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C15H12F2O4/c1-9(15(18)19)20-11-6-2-3-7-12(11)21-13-8-4-5-10(16)14(13)17/h2-9H,1H3,(H,18,19)
InChIKeyROWOIJNUPYABNG-UHFFFAOYSA-N
XLogP3.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
2-(2,3-difluorophenoxy)propanamide
CID 63038540
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
CID 63038697
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
(2S)-2-[4-[(2R)-2-(2,3-difluorophenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125152756
2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
CID 70466221
(2S)-3-(2,3-difluorophenoxy)-2-(methylamino)propanoic acid
CID 170897243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid?
The IUPAC name of 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid (CID 21274138) is 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid?
The canonical SMILES for 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid is CC(Oc1ccccc1Oc1cccc(F)c1F)C(=O)O.
What is the InChIKey of 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid?
The InChIKey is ROWOIJNUPYABNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-9(15(18)19)20-11-6-2-3-7-12(11)21-13-8-4-5-10(16)14(13)17/h2-9H,1H3,(H,18,19).
What are the key properties of 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid?
2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid has a molecular weight of 294.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid is sourced from PubChem (CID 21274138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).