(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one

C12H13ClO2 — CID 171341408

IUPAC(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one
SMILESO=C1CC[C@H](CCc2ccc(Cl)cc2)O1
InChIInChI=1S/C12H13ClO2/c13-10-4-1-9(2-5-10)3-6-11-7-8-12(14)15-11/h1-2,4-5,11H,3,6-8H2/t11-/m0/s1
InChIKeyAKJFRHZWLKKVDI-NSHDSACASA-N
MW224.69 g/mol
LogP2.98
Rot. Bonds3

About (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one

(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one (PubChem CID 171341408) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one
PubChem CID171341408
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one
SMILESO=C1CC[C@H](CCc2ccc(Cl)cc2)O1
InChIInChI=1S/C12H13ClO2/c13-10-4-1-9(2-5-10)3-6-11-7-8-12(14)15-11/h1-2,4-5,11H,3,6-8H2/t11-/m0/s1
InChIKeyAKJFRHZWLKKVDI-NSHDSACASA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one (CID 171341408) is (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one is O=C1CC[C@H](CCc2ccc(Cl)cc2)O1.
What is the InChIKey of (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one?
The InChIKey is AKJFRHZWLKKVDI-NSHDSACASA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-4-1-9(2-5-10)3-6-11-7-8-12(14)15-11/h1-2,4-5,11H,3,6-8H2/t11-/m0/s1.
What are the key properties of (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one?
(5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(4-chlorophenyl)ethyl]oxolan-2-one is sourced from PubChem (CID 171341408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).