6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol

C21H26O6 — CID 59863611

IUPAC6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCOc1ccc(OC2OC(COCc3ccccc3)C(O)C(O)C2C)cc1
InChIInChI=1S/C21H26O6/c1-14-19(22)20(23)18(13-25-12-15-6-4-3-5-7-15)27-21(14)26-17-10-8-16(24-2)9-11-17/h3-11,14,18-23H,12-13H2,1-2H3
InChIKeyDHSBBSQQERSIEO-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.37
Rot. Bonds7

About 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol

6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol (PubChem CID 59863611) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
PubChem CID59863611
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCOc1ccc(OC2OC(COCc3ccccc3)C(O)C(O)C2C)cc1
InChIInChI=1S/C21H26O6/c1-14-19(22)20(23)18(13-25-12-15-6-4-3-5-7-15)27-21(14)26-17-10-8-16(24-2)9-11-17/h3-11,14,18-23H,12-13H2,1-2H3
InChIKeyDHSBBSQQERSIEO-UHFFFAOYSA-N
XLogP2.37
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,6R)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 138967093
(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10769142
(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane-3,5-diol
CID 10949753
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3S,4S,5R,6S)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 10557933
(2S,3S,4S,5R,6S)-2-phenoxy-6-(phenylmethoxymethyl)-4-propoxyoxane-3,5-diol
CID 71719675
(2S,3R,4R,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-4-carbaldehyde
CID 10555028
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
[(2S,3R,4S,5R,6R)-3-acetyloxy-2-(4-acetyloxyphenoxy)-5-hydroxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 134277145
(3aS,4R,6R,7R,7aS)-6-(4-methoxyphenoxy)-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 126970029
2-[2-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
CID 172642756

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol?
The IUPAC name of 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol (CID 59863611) is 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol.
What is the SMILES notation for 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol?
The canonical SMILES for 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol is COc1ccc(OC2OC(COCc3ccccc3)C(O)C(O)C2C)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol?
The InChIKey is DHSBBSQQERSIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O6/c1-14-19(22)20(23)18(13-25-12-15-6-4-3-5-7-15)27-21(14)26-17-10-8-16(24-2)9-11-17/h3-11,14,18-23H,12-13H2,1-2H3.
What are the key properties of 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol?
6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol has a molecular weight of 374.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 59863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).