(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate

C15H12FO3- — CID 7072246

IUPAC(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate
SMILESC[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)[O-]
InChIInChI=1S/C15H13FO3/c1-10(15(17)18)19-12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/p-1/t10-/m1/s1
InChIKeyISOQJJOYRSTBHZ-SNVBAGLBSA-M
MW259.26 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate

(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate (PubChem CID 7072246) has the molecular formula C15H12FO3- and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate
PubChem CID7072246
Molecular FormulaC15H12FO3-
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate
SMILESC[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)[O-]
InChIInChI=1S/C15H13FO3/c1-10(15(17)18)19-12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/p-1/t10-/m1/s1
InChIKeyISOQJJOYRSTBHZ-SNVBAGLBSA-M
XLogP2.01
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416
(2S)-2-(3-fluoro-4-phenylphenyl)propanoate;[(1S)-1-phenylethyl]azanium
CID 139088547
2-(4-chlorophenoxy)propanoate
CID 4556388
5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 6923552
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
(3-fluoro-4-phenylphenyl) 4-methylbenzenesulfonate
CID 3728544
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
CID 146006704
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate?
The IUPAC name of (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate (CID 7072246) is (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate.
What is the SMILES notation for (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate?
The canonical SMILES for (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate is C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)[O-].
What is the InChIKey of (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate?
The InChIKey is ISOQJJOYRSTBHZ-SNVBAGLBSA-M. The full InChI is InChI=1S/C15H13FO3/c1-10(15(17)18)19-12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/p-1/t10-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate?
(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate has a molecular weight of 259.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-phenylphenoxy)propanoate is sourced from PubChem (CID 7072246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).