3,4,5-tris(phenylmethoxy)oxolan-2-one

C25H24O5 — CID 85325840

IUPAC3,4,5-tris(phenylmethoxy)oxolan-2-one
SMILESO=C1OC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C25H24O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2
InChIKeyOEBHMMRDPQKLMI-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.26
Rot. Bonds9

About 3,4,5-tris(phenylmethoxy)oxolan-2-one

3,4,5-tris(phenylmethoxy)oxolan-2-one (PubChem CID 85325840) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is 3,4,5-tris(phenylmethoxy)oxolan-2-one.

Molecular Properties

Compound Name3,4,5-tris(phenylmethoxy)oxolan-2-one
PubChem CID85325840
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name3,4,5-tris(phenylmethoxy)oxolan-2-one
SMILESO=C1OC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C25H24O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2
InChIKeyOEBHMMRDPQKLMI-UHFFFAOYSA-N
XLogP4.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
methyl (2S)-2-hydroxy-2-[(2R,3S,4R)-5-oxo-3,4-bis(phenylmethoxy)oxolan-2-yl]acetate
CID 102573561
(3S,4S)-4-(2-phenylethyl)-3-phenylmethoxyoxetan-2-one
CID 15395993
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4S,5R,6R)-2-(difluoromethylidene)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-one
CID 123693532
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
CID 139605652
(3R,4R)-4-(4-hydroxybutyl)-3-phenylmethoxyoxetan-2-one
CID 11097002
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(phenylmethoxy)oxolan-2-one?
The IUPAC name of 3,4,5-tris(phenylmethoxy)oxolan-2-one (CID 85325840) is 3,4,5-tris(phenylmethoxy)oxolan-2-one.
What is the SMILES notation for 3,4,5-tris(phenylmethoxy)oxolan-2-one?
The canonical SMILES for 3,4,5-tris(phenylmethoxy)oxolan-2-one is O=C1OC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4,5-tris(phenylmethoxy)oxolan-2-one?
The InChIKey is OEBHMMRDPQKLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2.
What are the key properties of 3,4,5-tris(phenylmethoxy)oxolan-2-one?
3,4,5-tris(phenylmethoxy)oxolan-2-one has a molecular weight of 404.46 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(phenylmethoxy)oxolan-2-one is sourced from PubChem (CID 85325840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).