ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate

C17H18O4 — CID 23243327

IUPACethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
SMILESCCOC(=O)O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3/t15-,16-/m1/s1
InChIKeyXHGRGDFNIZPOLO-HZPDHXFCSA-N
MW286.33 g/mol
LogP3.63
Rot. Bonds5

About ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate

ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate (PubChem CID 23243327) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate.

Molecular Properties

Compound Nameethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
PubChem CID23243327
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
SMILESCCOC(=O)O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3/t15-,16-/m1/s1
InChIKeyXHGRGDFNIZPOLO-HZPDHXFCSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
(2-hydroxy-1,2-diphenylethyl) phenyl carbonate
CID 139623038
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
2-ethoxy-1,2-diphenylethanol
CID 3767197
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
CID 7321538
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl [(Z,2S,5R)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 15348850
ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 10999453
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198

Frequently Asked Questions

What is the IUPAC name of ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate?
The IUPAC name of ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate (CID 23243327) is ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate.
What is the SMILES notation for ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate?
The canonical SMILES for ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate is CCOC(=O)O[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate?
The InChIKey is XHGRGDFNIZPOLO-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,15-16,18H,2H2,1H3/t15-,16-/m1/s1.
What are the key properties of ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate?
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate has a molecular weight of 286.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate is sourced from PubChem (CID 23243327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).