methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate

C13H18O6 — CID 103338197

IUPACmethyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H18O6/c1-8(13(14)18-5)19-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-8H,1-5H3/t8-/m1/s1
InChIKeyKOCOYGQEBAHJSR-MRVPVSSYSA-N
MW270.28 g/mol
LogP1.65
Rot. Bonds6

About methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate

methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate (PubChem CID 103338197) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
PubChem CID103338197
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H18O6/c1-8(13(14)18-5)19-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-8H,1-5H3/t8-/m1/s1
InChIKeyKOCOYGQEBAHJSR-MRVPVSSYSA-N
XLogP1.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873
methyl (2S)-2-(3,5-ditert-butylphenoxy)propanoate
CID 103337876
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991764
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
CID 154610153
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
methyl 2-amino-3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
CID 11065938
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate (CID 103338197) is methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate is COC(=O)[C@@H](C)Oc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate?
The InChIKey is KOCOYGQEBAHJSR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18O6/c1-8(13(14)18-5)19-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-8H,1-5H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate?
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate has a molecular weight of 270.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate is sourced from PubChem (CID 103338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).