(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid

C15H11FO4 — CID 88610888

IUPAC(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2cccc(Oc3ccc(F)cc3)c2)CO1
InChIInChI=1S/C15H11FO4/c16-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)15(9-19-15)14(17)18/h1-8H,9H2,(H,17,18)/t15-/m0/s1
InChIKeyYJTREQIKLVHLBF-HNNXBMFYSA-N
MW274.25 g/mol
LogP2.93
Rot. Bonds4

About (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid

(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid (PubChem CID 88610888) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid
PubChem CID88610888
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2cccc(Oc3ccc(F)cc3)c2)CO1
InChIInChI=1S/C15H11FO4/c16-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)15(9-19-15)14(17)18/h1-8H,9H2,(H,17,18)/t15-/m0/s1
InChIKeyYJTREQIKLVHLBF-HNNXBMFYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid?
The IUPAC name of (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid (CID 88610888) is (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid?
The canonical SMILES for (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid is O=C(O)[C@@]1(c2cccc(Oc3ccc(F)cc3)c2)CO1.
What is the InChIKey of (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid?
The InChIKey is YJTREQIKLVHLBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H11FO4/c16-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)15(9-19-15)14(17)18/h1-8H,9H2,(H,17,18)/t15-/m0/s1.
What are the key properties of (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid?
(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid is sourced from PubChem (CID 88610888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).