[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

C22H28O4 — CID 76600599

IUPAC[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1C
InChIInChI=1S/C22H28O4/c1-16-17(2)26-20(13-23)22(25-15-19-11-7-4-8-12-19)21(16)24-14-18-9-5-3-6-10-18/h3-12,16-17,20-23H,13-15H2,1-2H3
InChIKeyFUZHXGUZLBMFNP-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.57
Rot. Bonds7

About [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 76600599) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID76600599
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1C
InChIInChI=1S/C22H28O4/c1-16-17(2)26-20(13-23)22(25-15-19-11-7-4-8-12-19)21(16)24-14-18-9-5-3-6-10-18/h3-12,16-17,20-23H,13-15H2,1-2H3
InChIKeyFUZHXGUZLBMFNP-UHFFFAOYSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
[(3R,4S,6R)-6-[(2R,5S)-6-(hydroxymethyl)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 70905902
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90128354
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2R,3S,4S,5R,6S)-6-benzylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 102062083
[5-methyl-6-(4-nitrophenoxy)-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 135024884

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (CID 76600599) is [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is CC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1C.
What is the InChIKey of [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is FUZHXGUZLBMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-16-17(2)26-20(13-23)22(25-15-19-11-7-4-8-12-19)21(16)24-14-18-9-5-3-6-10-18/h3-12,16-17,20-23H,13-15H2,1-2H3.
What are the key properties of [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 356.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 76600599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).