ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate

C15H22O4 — CID 91748652

IUPACethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](OCC)[C@H](OCC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-17-13(12-10-8-7-9-11-12)14(18-5-2)15(16)19-6-3/h7-11,13-14H,4-6H2,1-3H3/t13-,14+/m1/s1
InChIKeyDNGYVICCFFRGKH-KGLIPLIRSA-N
MW266.34 g/mol
LogP2.73
Rot. Bonds8

About ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate

ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate (PubChem CID 91748652) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
PubChem CID91748652
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](OCC)[C@H](OCC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-17-13(12-10-8-7-9-11-12)14(18-5-2)15(16)19-6-3/h7-11,13-14H,4-6H2,1-3H3/t13-,14+/m1/s1
InChIKeyDNGYVICCFFRGKH-KGLIPLIRSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1,2-diphenylethanol
CID 3767197
ethyl (2R)-2-[[(1R,2S)-2,3-diethoxy-3-oxo-1-phenylpropyl]amino]-3-methylbutanoate
CID 44604858
(1,2-diethoxy-2-oxoethyl)-triphenylphosphanium;hydrochloride
CID 126960654
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
CID 54159083
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate?
The IUPAC name of ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate (CID 91748652) is ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate is CCOC(=O)[C@@H](OCC)[C@H](OCC)c1ccccc1.
What is the InChIKey of ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate?
The InChIKey is DNGYVICCFFRGKH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-17-13(12-10-8-7-9-11-12)14(18-5-2)15(16)19-6-3/h7-11,13-14H,4-6H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate?
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate is sourced from PubChem (CID 91748652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).