6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol

C21H26O4 — CID 137482941

IUPAC6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
SMILESCC1CC(O)C(OCc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C21H26O4/c1-16-12-19(22)21(24-14-18-10-6-3-7-11-18)20(25-16)15-23-13-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3
InChIKeyCPFJFRQASGRWGK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.33
Rot. Bonds7

About 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol

6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 137482941) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
PubChem CID137482941
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
SMILESCC1CC(O)C(OCc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C21H26O4/c1-16-12-19(22)21(24-14-18-10-6-3-7-11-18)20(25-16)15-23-13-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3
InChIKeyCPFJFRQASGRWGK-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(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
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(3S,4S,5R,6R,7R)-2-fluoro-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol
CID 71620330
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol?
The IUPAC name of 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol (CID 137482941) is 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol.
What is the SMILES notation for 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol?
The canonical SMILES for 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol is CC1CC(O)C(OCc2ccccc2)C(COCc2ccccc2)O1.
What is the InChIKey of 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol?
The InChIKey is CPFJFRQASGRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-16-12-19(22)21(24-14-18-10-6-3-7-11-18)20(25-16)15-23-13-17-8-4-2-5-9-17/h2-11,16,19-22H,12-15H2,1H3.
What are the key properties of 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol?
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 342.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 137482941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).