(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol

C20H26O8 — CID 14135965

IUPAC(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol
SMILESCOc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cccc2OC)cc(OC)c1OC
InChIInChI=1S/C20H26O8/c1-23-13-7-6-8-14(24-2)20(13)28-17(11-21)18(22)12-9-15(25-3)19(27-5)16(10-12)26-4/h6-10,17-18,21-22H,11H2,1-5H3/t17-,18+/m0/s1
InChIKeyXLYFSMVLXIQORL-ZWKOTPCHSA-N
MW394.42 g/mol
LogP2.20
Rot. Bonds10

About (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol

(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol (PubChem CID 14135965) has the molecular formula C20H26O8 and a molecular weight of 394.42 g/mol. Its IUPAC name is (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol
PubChem CID14135965
Molecular FormulaC20H26O8
Molecular Weight394.42 g/mol
Exact Mass394.16
IUPAC Name(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol
SMILESCOc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cccc2OC)cc(OC)c1OC
InChIInChI=1S/C20H26O8/c1-23-13-7-6-8-14(24-2)20(13)28-17(11-21)18(22)12-9-15(25-3)19(27-5)16(10-12)26-4/h6-10,17-18,21-22H,11H2,1-5H3/t17-,18+/m0/s1
InChIKeyXLYFSMVLXIQORL-ZWKOTPCHSA-N
XLogP2.20
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 13365635
(1S,2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 162917938
(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 46834546
(1S,2R)-2-[4-[(2S)-2,3-dihydroxypropyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 163186315
2-[4-(2,3-dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 162997031
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
(1R,2S)-1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
CID 124630432
(1S,2S)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 162905284
3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid
CID 75614514
(1R,2R)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 162926503
2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 14018328

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol?
The IUPAC name of (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol (CID 14135965) is (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol.
What is the SMILES notation for (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol?
The canonical SMILES for (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol is COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cccc2OC)cc(OC)c1OC.
What is the InChIKey of (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol?
The InChIKey is XLYFSMVLXIQORL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26O8/c1-23-13-7-6-8-14(24-2)20(13)28-17(11-21)18(22)12-9-15(25-3)19(27-5)16(10-12)26-4/h6-10,17-18,21-22H,11H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol?
(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol has a molecular weight of 394.42 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 14135965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).