ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate

C15H18O4 — CID 15942035

IUPACethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CCc2ccccc2)C(=O)O1
InChIInChI=1S/C15H18O4/c1-2-18-15(17)13-10-12(14(16)19-13)9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyAGUZDINUBDQOBA-OLZOCXBDSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds5

About ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate

ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate (PubChem CID 15942035) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate
PubChem CID15942035
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Nameethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CCc2ccccc2)C(=O)O1
InChIInChI=1S/C15H18O4/c1-2-18-15(17)13-10-12(14(16)19-13)9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyAGUZDINUBDQOBA-OLZOCXBDSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The IUPAC name of ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate (CID 15942035) is ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](CCc2ccccc2)C(=O)O1.
What is the InChIKey of ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The InChIKey is AGUZDINUBDQOBA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-18-15(17)13-10-12(14(16)19-13)9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate is sourced from PubChem (CID 15942035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).