[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone

C22H17FO3 — CID 26985531

IUPAC[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H17FO3/c23-17-12-10-16(11-13-17)21-22(26-21)20(24)18-8-4-5-9-19(18)25-14-15-6-2-1-3-7-15/h1-13,21-22H,14H2/t21-,22+/m0/s1
InChIKeyGOENYUXCFIBHMA-FCHUYYIVSA-N
MW348.37 g/mol
LogP4.73
Rot. Bonds6

About [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone

[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone (PubChem CID 26985531) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
PubChem CID26985531
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Name[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H17FO3/c23-17-12-10-16(11-13-17)21-22(26-21)20(24)18-8-4-5-9-19(18)25-14-15-6-2-1-3-7-15/h1-13,21-22H,14H2/t21-,22+/m0/s1
InChIKeyGOENYUXCFIBHMA-FCHUYYIVSA-N
XLogP4.73
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,3R)-3-(2-phenylmethoxybenzoyl)oxiran-2-yl]benzoate
CID 7036125
(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
CID 2780997
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
[(2S,3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxiran-2-yl]-(5-fluoro-2-phenylmethoxyphenyl)methanone
CID 1181808
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 3554885
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
CID 2781017
2-phenylmethoxybenzoyl chloride
CID 10999355
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The IUPAC name of [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone (CID 26985531) is [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The canonical SMILES for [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone is O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The InChIKey is GOENYUXCFIBHMA-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H17FO3/c23-17-12-10-16(11-13-17)21-22(26-21)20(24)18-8-4-5-9-19(18)25-14-15-6-2-1-3-7-15/h1-13,21-22H,14H2/t21-,22+/m0/s1.
What are the key properties of [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone has a molecular weight of 348.37 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 26985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).