[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate

C16H16O3 — CID 71568607

IUPAC[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
SMILESO=C(O[C@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3/c17-12-15(11-13-7-3-1-4-8-13)19-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKeyFSBXVXTVVGLIOD-HNNXBMFYSA-N
MW256.30 g/mol
LogP2.45
Rot. Bonds5

About [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate

[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate (PubChem CID 71568607) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
PubChem CID71568607
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
SMILESO=C(O[C@H](CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3/c17-12-15(11-13-7-3-1-4-8-13)19-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKeyFSBXVXTVVGLIOD-HNNXBMFYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzoyloxy-3-phenylpropyl) benzoate
CID 44718260
(1-hydroxy-3-methoxypropan-2-yl) benzoate
CID 54162892
[(2R,5S)-1,5-dihydroxyhexan-2-yl] benzoate
CID 142707131
[1-hydroxy-3-(2-methylcyclohexen-1-yl)propan-2-yl] benzoate
CID 135041276
1-hydroxypentan-3-yl benzoate
CID 66896563
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
3-(1,3-dihydroxypropan-2-yloxycarbonyl)benzoic acid
CID 18916248
(6-benzoyloxy-4,5-dibenzyloctan-3-yl) benzoate
CID 141068159
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
1-phenylethyl benzoate
CID 174857426
(6-benzoyloxy-2,8-dimethylnonan-4-yl) benzoate
CID 66727849

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate?
The IUPAC name of [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate (CID 71568607) is [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate.
What is the SMILES notation for [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate?
The canonical SMILES for [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate is O=C(O[C@H](CO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate?
The InChIKey is FSBXVXTVVGLIOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O3/c17-12-15(11-13-7-3-1-4-8-13)19-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate?
[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate has a molecular weight of 256.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate is sourced from PubChem (CID 71568607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).