ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate

C20H24O7 — CID 99864693

IUPACethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
SMILESCCOC(=O)[C@H](Oc1ccccc1OC)[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O7/c1-5-26-20(22)19(27-16-9-7-6-8-14(16)23-2)18(21)13-10-11-15(24-3)17(12-13)25-4/h6-12,18-19,21H,5H2,1-4H3/t18-,19+/m0/s1
InChIKeyWXFAFGNQMYMUDX-RBUKOAKNSA-N
MW376.41 g/mol
LogP2.76
Rot. Bonds9

About ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate

ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate (PubChem CID 99864693) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
PubChem CID99864693
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Nameethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
SMILESCCOC(=O)[C@H](Oc1ccccc1OC)[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O7/c1-5-26-20(22)19(27-16-9-7-6-8-14(16)23-2)18(21)13-10-11-15(24-3)17(12-13)25-4/h6-12,18-19,21H,5H2,1-4H3/t18-,19+/m0/s1
InChIKeyWXFAFGNQMYMUDX-RBUKOAKNSA-N
XLogP2.76
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(1R,2S)-3-ethoxy-1-hydroxy-2-(2-methoxyphenoxy)-3-oxopropyl]-2-methoxyphenyl] benzoate
CID 53242446
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
methyl (2S,3S)-3-hydroxy-2-(2-methoxyphenoxy)-3-phenylpropanoate;methyl (2R,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-phenylpropanoate
CID 139158753
ethyl 2-(benzenesulfonamido)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 139746749
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
ethyl 2-bromo-2-(2-methoxyphenoxy)acetate
CID 22282008
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
ethyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171246023
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
ethyl 3-(4-bromo-3-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171867216
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate?
The IUPAC name of ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate (CID 99864693) is ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate?
The canonical SMILES for ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate is CCOC(=O)[C@H](Oc1ccccc1OC)[C@@H](O)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate?
The InChIKey is WXFAFGNQMYMUDX-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24O7/c1-5-26-20(22)19(27-16-9-7-6-8-14(16)23-2)18(21)13-10-11-15(24-3)17(12-13)25-4/h6-12,18-19,21H,5H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate?
ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate has a molecular weight of 376.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 99864693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).