(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one

C17H15ClO2 — CID 122380840

IUPAC(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one
SMILESO=C1CC[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H15ClO2/c18-15-8-6-14(7-9-15)17(11-10-16(19)20-17)12-13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m1/s1
InChIKeyRAYIARAVRJOLBE-QGZVFWFLSA-N
MW286.76 g/mol
LogP4.11
Rot. Bonds3

About (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one

(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one (PubChem CID 122380840) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one
PubChem CID122380840
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one
SMILESO=C1CC[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H15ClO2/c18-15-8-6-14(7-9-15)17(11-10-16(19)20-17)12-13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m1/s1
InChIKeyRAYIARAVRJOLBE-QGZVFWFLSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one?
The IUPAC name of (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one (CID 122380840) is (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one?
The canonical SMILES for (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one is O=C1CC[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)O1.
What is the InChIKey of (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one?
The InChIKey is RAYIARAVRJOLBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-15-8-6-14(7-9-15)17(11-10-16(19)20-17)12-13-4-2-1-3-5-13/h1-9H,10-12H2/t17-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one?
(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one has a molecular weight of 286.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one is sourced from PubChem (CID 122380840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).