[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate

C25H24O4 — CID 10318087

IUPAC[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
SMILESO=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)O[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H24O4/c26-18-24(21-14-8-3-9-15-21)29-25(28)17-22(19-10-4-1-5-11-19)16-23(27)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2/t22-,24-/m0/s1
InChIKeyRJZHPNPOARQBKK-UPVQGACJSA-N
MW388.46 g/mol
LogP4.71
Rot. Bonds9

About [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate

[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate (PubChem CID 10318087) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate.

Molecular Properties

Compound Name[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
PubChem CID10318087
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
SMILESO=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)O[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H24O4/c26-18-24(21-14-8-3-9-15-21)29-25(28)17-22(19-10-4-1-5-11-19)16-23(27)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2/t22-,24-/m0/s1
InChIKeyRJZHPNPOARQBKK-UPVQGACJSA-N
XLogP4.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
CID 91438959
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
(3R)-1,3-diphenylpentan-1-one
CID 11042799
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
CID 101258032
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
14-bromo-1,3-diphenyltetradecan-1-one
CID 135391784
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
1,5-bis(4-pentoxyphenyl)-3-phenylpentane-1,5-dione
CID 3785979
S-dodecyl (3S)-5-oxo-3,5-diphenylpentanethioate
CID 11974271
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate?
The IUPAC name of [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate (CID 10318087) is [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate.
What is the SMILES notation for [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate?
The canonical SMILES for [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate is O=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)O[C@@H](CO)c1ccccc1.
What is the InChIKey of [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate?
The InChIKey is RJZHPNPOARQBKK-UPVQGACJSA-N. The full InChI is InChI=1S/C25H24O4/c26-18-24(21-14-8-3-9-15-21)29-25(28)17-22(19-10-4-1-5-11-19)16-23(27)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2/t22-,24-/m0/s1.
What are the key properties of [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate?
[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate has a molecular weight of 388.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate is sourced from PubChem (CID 10318087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).