2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid

C15H12F2O4 — CID 62785009

IUPAC2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2O4/c16-10-7-11(17)9-12(8-10)20-5-6-21-14-4-2-1-3-13(14)15(18)19/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyZKMDBTUCYNNLRM-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid

2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid (PubChem CID 62785009) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
PubChem CID62785009
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2O4/c16-10-7-11(17)9-12(8-10)20-5-6-21-14-4-2-1-3-13(14)15(18)19/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyZKMDBTUCYNNLRM-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
CID 62400880
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid (CID 62785009) is 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCOc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid?
The InChIKey is ZKMDBTUCYNNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c16-10-7-11(17)9-12(8-10)20-5-6-21-14-4-2-1-3-13(14)15(18)19/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid?
2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid has a molecular weight of 294.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 62785009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).