dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate

C22H26O10 — CID 171933866

IUPACdimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
SMILESCOC(=O)[C@H](OCc1ccc(O)c(OC)c1)[C@@H](OCc1ccc(O)c(OC)c1)C(=O)OC
InChIInChI=1S/C22H26O10/c1-27-17-9-13(5-7-15(17)23)11-31-19(21(25)29-3)20(22(26)30-4)32-12-14-6-8-16(24)18(10-14)28-2/h5-10,19-20,23-24H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyZFCZVSLDJAYOQG-WOJBJXKFSA-N
MW450.44 g/mol
LogP1.93
Rot. Bonds11

About dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate

dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate (PubChem CID 171933866) has the molecular formula C22H26O10 and a molecular weight of 450.44 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
PubChem CID171933866
Molecular FormulaC22H26O10
Molecular Weight450.44 g/mol
Exact Mass450.15
IUPAC Namedimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
SMILESCOC(=O)[C@H](OCc1ccc(O)c(OC)c1)[C@@H](OCc1ccc(O)c(OC)c1)C(=O)OC
InChIInChI=1S/C22H26O10/c1-27-17-9-13(5-7-15(17)23)11-31-19(21(25)29-3)20(22(26)30-4)32-12-14-6-8-16(24)18(10-14)28-2/h5-10,19-20,23-24H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyZFCZVSLDJAYOQG-WOJBJXKFSA-N
XLogP1.93
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
4-(butan-2-yloxymethyl)-2-methoxyphenol
CID 11206597
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
methyl (2S)-2-amino-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]propanoate
CID 71750297
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate (CID 171933866) is dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate is COC(=O)[C@H](OCc1ccc(O)c(OC)c1)[C@@H](OCc1ccc(O)c(OC)c1)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate?
The InChIKey is ZFCZVSLDJAYOQG-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H26O10/c1-27-17-9-13(5-7-15(17)23)11-31-19(21(25)29-3)20(22(26)30-4)32-12-14-6-8-16(24)18(10-14)28-2/h5-10,19-20,23-24H,11-12H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate?
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate has a molecular weight of 450.44 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate is sourced from PubChem (CID 171933866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).