2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

C20H19F3O5 — CID 130365602

IUPAC2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESCOc1ccc(OC(F)(F)F)cc1-c1ccc(C2CC(OCC(=O)O)C2)cc1
InChIInChI=1S/C20H19F3O5/c1-26-18-7-6-15(28-20(21,22)23)10-17(18)13-4-2-12(3-5-13)14-8-16(9-14)27-11-19(24)25/h2-7,10,14,16H,8-9,11H2,1H3,(H,24,25)
InChIKeyUGZPBZNLMHSJSF-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.61
Rot. Bonds7

About 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365602) has the molecular formula C20H19F3O5 and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365602
Molecular FormulaC20H19F3O5
Molecular Weight396.36 g/mol
Exact Mass396.12
IUPAC Name2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESCOc1ccc(OC(F)(F)F)cc1-c1ccc(C2CC(OCC(=O)O)C2)cc1
InChIInChI=1S/C20H19F3O5/c1-26-18-7-6-15(28-20(21,22)23)10-17(18)13-4-2-12(3-5-13)14-8-16(9-14)27-11-19(24)25/h2-7,10,14,16H,8-9,11H2,1H3,(H,24,25)
InChIKeyUGZPBZNLMHSJSF-UHFFFAOYSA-N
XLogP4.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (CID 130365602) is 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is COc1ccc(OC(F)(F)F)cc1-c1ccc(C2CC(OCC(=O)O)C2)cc1.
What is the InChIKey of 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is UGZPBZNLMHSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O5/c1-26-18-7-6-15(28-20(21,22)23)10-17(18)13-4-2-12(3-5-13)14-8-16(9-14)27-11-19(24)25/h2-7,10,14,16H,8-9,11H2,1H3,(H,24,25).
What are the key properties of 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 396.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).