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

C15H18O4 — CID 102480837

IUPACethyl (2R,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-CHWSQXEVSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds5

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

ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate (PubChem CID 102480837) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate
PubChem CID102480837
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Nameethyl (2R,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-CHWSQXEVSA-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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Related Compounds

Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester
CID 95395
3-Benzyloxolan-2-one
CID 562758
Dimethyl 3-phenylglutarate
CID 4173488
Dihydro-4-(phenylmethyl)-2(3H)-furanone
CID 5150640
alpha-Phenyltetrahydrofuranone-2-gamma-carboxylic acid
CID 99776
[(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] 2-phenylacetate
CID 134136919
Ethyl 3-(2-phenylethyl)oxirane-2-carboxylate
CID 12714568
2,4(3H,5H)-Furandione, 3-benzyl-
CID 562006
Fenpicoxamid metabolite (X12314005)
CID 10754927
2(3H)-Furanone, dihydro-3-benzyl-5-(2-propynyloxymethyl)-
CID 34044
2(3H)-Furanone, dihydro-3-acetyl-3-benzyl-5-(2-propynyloxymethyl)-
CID 35773
Ethyl 2-hydroxy-5-phenylpentanoate
CID 65947175

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The IUPAC name of ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate (CID 102480837) is ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,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 (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
The InChIKey is AGUZDINUBDQOBA-CHWSQXEVSA-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 (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate?
ethyl (2R,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 (2R,4R)-5-oxo-4-(2-phenylethyl)oxolane-2-carboxylate is sourced from PubChem (CID 102480837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).