3-(4-chlorophenyl)-3-phenyloxolan-2-one

C16H13ClO2 — CID 175135173

IUPAC3-(4-chlorophenyl)-3-phenyloxolan-2-one
SMILESO=C1OCCC1(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO2/c17-14-8-6-13(7-9-14)16(10-11-19-15(16)18)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyGNXOBARQLQJMIE-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.57
Rot. Bonds2

About 3-(4-chlorophenyl)-3-phenyloxolan-2-one

3-(4-chlorophenyl)-3-phenyloxolan-2-one (PubChem CID 175135173) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-phenyloxolan-2-one
PubChem CID175135173
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name3-(4-chlorophenyl)-3-phenyloxolan-2-one
SMILESO=C1OCCC1(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO2/c17-14-8-6-13(7-9-14)16(10-11-19-15(16)18)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyGNXOBARQLQJMIE-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-phenyloxolan-2-one?
The IUPAC name of 3-(4-chlorophenyl)-3-phenyloxolan-2-one (CID 175135173) is 3-(4-chlorophenyl)-3-phenyloxolan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-phenyloxolan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-phenyloxolan-2-one is O=C1OCCC1(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-phenyloxolan-2-one?
The InChIKey is GNXOBARQLQJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-14-8-6-13(7-9-14)16(10-11-19-15(16)18)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-3-phenyloxolan-2-one?
3-(4-chlorophenyl)-3-phenyloxolan-2-one has a molecular weight of 272.73 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-phenyloxolan-2-one is sourced from PubChem (CID 175135173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).