(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

C20H22O4 — CID 153175222

IUPAC(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@]1(COCc2ccccc2)OC(=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)18(12-19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-,20+/m0/s1
InChIKeyWFAJWMGTRMRPAD-AZUAARDMSA-N
MW326.39 g/mol
LogP3.49
Rot. Bonds7

About (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 153175222) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID153175222
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@]1(COCc2ccccc2)OC(=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)18(12-19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-,20+/m0/s1
InChIKeyWFAJWMGTRMRPAD-AZUAARDMSA-N
XLogP3.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
CID 123841413
CID 123841413
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(1S,5R,7R)-6,6-dimethyl-7-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 11140353
(2R,4R)-2-methyl-2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 11970175
(1S,3S,5S)-2,2-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
CID 11265435
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 153175222) is (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is C[C@]1(COCc2ccccc2)OC(=O)C[C@@H]1OCc1ccccc1.
What is the InChIKey of (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is WFAJWMGTRMRPAD-AZUAARDMSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)18(12-19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-,20+/m0/s1.
What are the key properties of (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 326.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 153175222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).