5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol

C20H24O4 — CID 20743032

IUPAC5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
SMILESCCC1OC(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16/h3-12,17-21H,2,13-14H2,1H3
InChIKeyMDTWRVZTKVTFDJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.28
Rot. Bonds7

About 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol

5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol (PubChem CID 20743032) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol.

Molecular Properties

Compound Name5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
PubChem CID20743032
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
SMILESCCC1OC(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16/h3-12,17-21H,2,13-14H2,1H3
InChIKeyMDTWRVZTKVTFDJ-UHFFFAOYSA-N
XLogP3.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 141137019
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2S,3S,4S,5R,6R)-6-(isocyanomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 141118732
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol?
The IUPAC name of 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol (CID 20743032) is 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol.
What is the SMILES notation for 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol?
The canonical SMILES for 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol is CCC1OC(O)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol?
The InChIKey is MDTWRVZTKVTFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16/h3-12,17-21H,2,13-14H2,1H3.
What are the key properties of 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol?
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol is sourced from PubChem (CID 20743032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).