1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone

C19H19FO4 — CID 134930647

IUPAC1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone
SMILESO=C(C[C@@H]1OC[C@@H](O)[C@H]1OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO4/c20-15-8-6-14(7-9-15)16(21)10-18-19(17(22)12-23-18)24-11-13-4-2-1-3-5-13/h1-9,17-19,22H,10-12H2/t17-,18+,19-/m1/s1
InChIKeyPOYYYNCZKACUAR-CEXWTWQISA-N
MW330.35 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone

1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone (PubChem CID 134930647) has the molecular formula C19H19FO4 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone
PubChem CID134930647
Molecular FormulaC19H19FO4
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone
SMILESO=C(C[C@@H]1OC[C@@H](O)[C@H]1OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO4/c20-15-8-6-14(7-9-15)16(21)10-18-19(17(22)12-23-18)24-11-13-4-2-1-3-5-13/h1-9,17-19,22H,10-12H2/t17-,18+,19-/m1/s1
InChIKeyPOYYYNCZKACUAR-CEXWTWQISA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
CID 10592798
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 163625128
[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681867
[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681876
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
2,2,2-trifluoro-N-[(3S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]acetamide
CID 176815952
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
(3R,4S,5S)-5-[12-[(2S,3S,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]dodeca-1,3,5,7,9,11-hexaynyl]-4-phenylmethoxyoxolan-3-ol
CID 56600059
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone (CID 134930647) is 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone is O=C(C[C@@H]1OC[C@@H](O)[C@H]1OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone?
The InChIKey is POYYYNCZKACUAR-CEXWTWQISA-N. The full InChI is InChI=1S/C19H19FO4/c20-15-8-6-14(7-9-15)16(21)10-18-19(17(22)12-23-18)24-11-13-4-2-1-3-5-13/h1-9,17-19,22H,10-12H2/t17-,18+,19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone has a molecular weight of 330.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone is sourced from PubChem (CID 134930647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).