ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate

C23H28O6 — CID 69418001

IUPACethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O[C@@H](C)C(=O)OCc2ccccc2)cc1)OCC
InChIInChI=1S/C23H28O6/c1-4-26-21(23(25)27-5-2)15-18-11-13-20(14-12-18)29-17(3)22(24)28-16-19-9-7-6-8-10-19/h6-14,17,21H,4-5,15-16H2,1-3H3/t17-,21+/m0/s1
InChIKeyHJXBFCQFXRRUBB-LAUBAEHRSA-N
MW400.47 g/mol
LogP3.71
Rot. Bonds11

About ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate

ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate (PubChem CID 69418001) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate
PubChem CID69418001
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Nameethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O[C@@H](C)C(=O)OCc2ccccc2)cc1)OCC
InChIInChI=1S/C23H28O6/c1-4-26-21(23(25)27-5-2)15-18-11-13-20(14-12-18)29-17(3)22(24)28-16-19-9-7-6-8-10-19/h6-14,17,21H,4-5,15-16H2,1-3H3/t17-,21+/m0/s1
InChIKeyHJXBFCQFXRRUBB-LAUBAEHRSA-N
XLogP3.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-(4-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918
ethyl (2R)-3-[4-(dibenzylamino)phenyl]-2-ethoxypropanoate
CID 59639980
ethyl 2-chloro-3-[4-(1-phenylpropan-2-yloxy)phenyl]propanoate
CID 12615976
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
ethyl 2-ethoxy-3-[4-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]propanoate
CID 142687427
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
benzyl 2-ethoxy-4-oxobutanoate
CID 88602770
2-ethoxy-3-phenylpropanoic acid
CID 54403311

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate?
The IUPAC name of ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate (CID 69418001) is ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate?
The canonical SMILES for ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate is CCOC(=O)[C@@H](Cc1ccc(O[C@@H](C)C(=O)OCc2ccccc2)cc1)OCC.
What is the InChIKey of ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate?
The InChIKey is HJXBFCQFXRRUBB-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H28O6/c1-4-26-21(23(25)27-5-2)15-18-11-13-20(14-12-18)29-17(3)22(24)28-16-19-9-7-6-8-10-19/h6-14,17,21H,4-5,15-16H2,1-3H3/t17-,21+/m0/s1.
What are the key properties of ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate?
ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate has a molecular weight of 400.47 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate is sourced from PubChem (CID 69418001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).