(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol

C20H24O6 — CID 51723028

IUPAC(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
SMILESCOc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@](C)(O)[C@@H]2C)ccc1O
InChIInChI=1S/C20H24O6/c1-11-18(12-5-7-14(21)16(9-12)24-3)26-19(20(11,2)23)13-6-8-15(22)17(10-13)25-4/h5-11,18-19,21-23H,1-4H3/t11-,18+,19-,20+/m1/s1
InChIKeyDGYASNDHNSXGSL-BSWYJSDQSA-N
MW360.41 g/mol
LogP3.31
Rot. Bonds4

About (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol

(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol (PubChem CID 51723028) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
PubChem CID51723028
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
SMILESCOc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@](C)(O)[C@@H]2C)ccc1O
InChIInChI=1S/C20H24O6/c1-11-18(12-5-7-14(21)16(9-12)24-3)26-19(20(11,2)23)13-6-8-15(22)17(10-13)25-4/h5-11,18-19,21-23H,1-4H3/t11-,18+,19-,20+/m1/s1
InChIKeyDGYASNDHNSXGSL-BSWYJSDQSA-N
XLogP3.31
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol with MolForge

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Related Compounds

(2R,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-3,4-dimethyloxolan-3-ol
CID 51694138
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
(3R,3aR,6S,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
CID 162873785
3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid
CID 131832014
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
4-[(1R,2'S,3S,3'R,5'R,6S)-5'-(3-hydroxy-4-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxy-3-methylphenyl)-3'-methylspiro[3,4,5,7-tetrahydro-1H-2-benzofuran-6,4'-oxolane]-2'-yl]-2-methylphenol
CID 58507631
4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102260959
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430
4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
CID 10804094
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21174044
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol?
The IUPAC name of (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol (CID 51723028) is (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol is COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@](C)(O)[C@@H]2C)ccc1O.
What is the InChIKey of (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol?
The InChIKey is DGYASNDHNSXGSL-BSWYJSDQSA-N. The full InChI is InChI=1S/C20H24O6/c1-11-18(12-5-7-14(21)16(9-12)24-3)26-19(20(11,2)23)13-6-8-15(22)17(10-13)25-4/h5-11,18-19,21-23H,1-4H3/t11-,18+,19-,20+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol?
(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol has a molecular weight of 360.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol is sourced from PubChem (CID 51723028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).