[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate

C15H12O4S — CID 40803656

IUPAC[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H12O4S/c16-14-12(6-8-18-14)19-15(17)13-11(7-9-20-13)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2/t12-/m1/s1
InChIKeyNCSDNFCZDNUJDC-GFCCVEGCSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate

[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate (PubChem CID 40803656) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate
PubChem CID40803656
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H12O4S/c16-14-12(6-8-18-14)19-15(17)13-11(7-9-20-13)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2/t12-/m1/s1
InChIKeyNCSDNFCZDNUJDC-GFCCVEGCSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate (CID 40803656) is [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate is O=C(O[C@@H]1CCOC1=O)c1sccc1-c1ccccc1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate?
The InChIKey is NCSDNFCZDNUJDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12O4S/c16-14-12(6-8-18-14)19-15(17)13-11(7-9-20-13)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2/t12-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate?
[(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 3-phenylthiophene-2-carboxylate is sourced from PubChem (CID 40803656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).