(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid

C14H11FO3 — CID 42252726

IUPAC(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)/t13-/m1/s1
InChIKeyIMELJGRKFXTYQJ-CYBMUJFWSA-N
MW246.24 g/mol
LogP3.03
Rot. Bonds4

About (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid

(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid (PubChem CID 42252726) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
PubChem CID42252726
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)/t13-/m1/s1
InChIKeyIMELJGRKFXTYQJ-CYBMUJFWSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid (CID 42252726) is (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid is O=C(O)[C@H](Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid?
The InChIKey is IMELJGRKFXTYQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11FO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid?
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid has a molecular weight of 246.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 42252726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).