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

C24H30O10 — CID 171933870

IUPACdimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
SMILESCOC(=O)[C@H](OCc1ccc(OC)c(OC)c1)[C@@H](OCc1ccc(OC)c(OC)c1)C(=O)OC
InChIInChI=1S/C24H30O10/c1-27-17-9-7-15(11-19(17)29-3)13-33-21(23(25)31-5)22(24(26)32-6)34-14-16-8-10-18(28-2)20(12-16)30-4/h7-12,21-22H,13-14H2,1-6H3/t21-,22-/m1/s1
InChIKeyADKCCPZSQUMTAO-FGZHOGPDSA-N
MW478.49 g/mol
LogP2.54
Rot. Bonds13

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

dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate (PubChem CID 171933870) has the molecular formula C24H30O10 and a molecular weight of 478.49 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
PubChem CID171933870
Molecular FormulaC24H30O10
Molecular Weight478.49 g/mol
Exact Mass478.18
IUPAC Namedimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
SMILESCOC(=O)[C@H](OCc1ccc(OC)c(OC)c1)[C@@H](OCc1ccc(OC)c(OC)c1)C(=O)OC
InChIInChI=1S/C24H30O10/c1-27-17-9-7-15(11-19(17)29-3)13-33-21(23(25)31-5)22(24(26)32-6)34-14-16-8-10-18(28-2)20(12-16)30-4/h7-12,21-22H,13-14H2,1-6H3/t21-,22-/m1/s1
InChIKeyADKCCPZSQUMTAO-FGZHOGPDSA-N
XLogP2.54
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(3,4-dimethoxyphenyl)methyl N-[4-[[4-[(3,4-dimethoxyphenyl)methoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 43835656
methyl 4-(3,4-dimethoxyphenyl)-2-nitrosobutanoate
CID 54372305
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 58444255
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate (CID 171933870) is dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate is COC(=O)[C@H](OCc1ccc(OC)c(OC)c1)[C@@H](OCc1ccc(OC)c(OC)c1)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate?
The InChIKey is ADKCCPZSQUMTAO-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H30O10/c1-27-17-9-7-15(11-19(17)29-3)13-33-21(23(25)31-5)22(24(26)32-6)34-14-16-8-10-18(28-2)20(12-16)30-4/h7-12,21-22H,13-14H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate?
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate has a molecular weight of 478.49 g/mol, XLogP of 2.54, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate is sourced from PubChem (CID 171933870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).