3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid

C15H17F3O4 — CID 58466052

IUPAC3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid
SMILESCOc1cc(C2CCC(CCC(=O)O)O2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3O4/c1-21-12-7-9(6-10(8-12)15(16,17)18)13-4-2-11(22-13)3-5-14(19)20/h6-8,11,13H,2-5H2,1H3,(H,19,20)
InChIKeyAOWBNQZCYKIPBT-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.80
Rot. Bonds5

About 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid

3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid (PubChem CID 58466052) has the molecular formula C15H17F3O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid
PubChem CID58466052
Molecular FormulaC15H17F3O4
Molecular Weight318.29 g/mol
Exact Mass318.11
IUPAC Name3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid
SMILESCOc1cc(C2CCC(CCC(=O)O)O2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3O4/c1-21-12-7-9(6-10(8-12)15(16,17)18)13-4-2-11(22-13)3-5-14(19)20/h6-8,11,13H,2-5H2,1H3,(H,19,20)
InChIKeyAOWBNQZCYKIPBT-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid?
The IUPAC name of 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid (CID 58466052) is 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid is COc1cc(C2CCC(CCC(=O)O)O2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid?
The InChIKey is AOWBNQZCYKIPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O4/c1-21-12-7-9(6-10(8-12)15(16,17)18)13-4-2-11(22-13)3-5-14(19)20/h6-8,11,13H,2-5H2,1H3,(H,19,20).
What are the key properties of 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid?
3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid has a molecular weight of 318.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 58466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).