(3S)-3-(4-chlorophenyl)oxolan-2-one

C10H9ClO2 — CID 11183203

IUPAC(3S)-3-(4-chlorophenyl)oxolan-2-one
SMILESO=C1OCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyVSBRJCKDDSOFNZ-VIFPVBQESA-N
MW196.63 g/mol
LogP2.37
Rot. Bonds1

About (3S)-3-(4-chlorophenyl)oxolan-2-one

(3S)-3-(4-chlorophenyl)oxolan-2-one (PubChem CID 11183203) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)oxolan-2-one
PubChem CID11183203
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(3S)-3-(4-chlorophenyl)oxolan-2-one
SMILESO=C1OCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyVSBRJCKDDSOFNZ-VIFPVBQESA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)oxolan-2-one?
The IUPAC name of (3S)-3-(4-chlorophenyl)oxolan-2-one (CID 11183203) is (3S)-3-(4-chlorophenyl)oxolan-2-one.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)oxolan-2-one?
The canonical SMILES for (3S)-3-(4-chlorophenyl)oxolan-2-one is O=C1OCC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)oxolan-2-one?
The InChIKey is VSBRJCKDDSOFNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-13-10(9)12/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)oxolan-2-one?
(3S)-3-(4-chlorophenyl)oxolan-2-one has a molecular weight of 196.63 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)oxolan-2-one is sourced from PubChem (CID 11183203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).