(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one

C17H24O4 — CID 66645562

IUPAC(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H]([C@H](O)COCc2ccccc2)OC1=O
InChIInChI=1S/C17H24O4/c1-12(2)8-14-9-16(21-17(14)19)15(18)11-20-10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyDXUMFBJHCWHOFJ-OAGGEKHMSA-N
MW292.38 g/mol
LogP2.54
Rot. Bonds7

About (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one

(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one (PubChem CID 66645562) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
PubChem CID66645562
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H]([C@H](O)COCc2ccccc2)OC1=O
InChIInChI=1S/C17H24O4/c1-12(2)8-14-9-16(21-17(14)19)15(18)11-20-10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyDXUMFBJHCWHOFJ-OAGGEKHMSA-N
XLogP2.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one
CID 68861590
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 102207627
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(3S)-4,4,5,5-tetradeuterio-3-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 58475036
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate
CID 15882850
tert-butyl N-methyl-N-[1-(5-oxo-4-propan-2-yloxolan-2-yl)-2-phenylmethoxyethyl]carbamate
CID 69199249
(2S,3aR,6R,7aR)-2-methoxy-2-methyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one
CID 10892992
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one (CID 66645562) is (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one is CC(C)C[C@@H]1C[C@@H]([C@H](O)COCc2ccccc2)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is DXUMFBJHCWHOFJ-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(2)8-14-9-16(21-17(14)19)15(18)11-20-10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one?
(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 66645562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).