3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid

C17H17FO4 — CID 142194169

IUPAC3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C17H17FO4/c18-14-4-2-6-16(12-14)22-10-9-21-15-5-1-3-13(11-15)7-8-17(19)20/h1-6,11-12H,7-10H2,(H,19,20)
InChIKeyIKNHTGVAFNOGSP-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.30
Rot. Bonds8

About 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid

3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid (PubChem CID 142194169) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
PubChem CID142194169
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C17H17FO4/c18-14-4-2-6-16(12-14)22-10-9-21-15-5-1-3-13(11-15)7-8-17(19)20/h1-6,11-12H,7-10H2,(H,19,20)
InChIKeyIKNHTGVAFNOGSP-UHFFFAOYSA-N
XLogP3.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.30
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

3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
3-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoic acid
CID 20991725
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
4-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22683551
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-(3-fluorophenoxy)propanenitrile;3-(3-fluorophenoxy)propanoic acid
CID 161047261
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
3-[3-(chloromethyl)phenoxy]propanoic acid
CID 54044579

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid (CID 142194169) is 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid is O=C(O)CCc1cccc(OCCOc2cccc(F)c2)c1.
What is the InChIKey of 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid?
The InChIKey is IKNHTGVAFNOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c18-14-4-2-6-16(12-14)22-10-9-21-15-5-1-3-13(11-15)7-8-17(19)20/h1-6,11-12H,7-10H2,(H,19,20).
What are the key properties of 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid?
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid has a molecular weight of 304.32 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 142194169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).