5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one

C19H20O3S — CID 71427356

IUPAC5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one
SMILESCc1ccc(S(=O)C2OC(=O)CC2CCc2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-7-11-17(12-8-14)23(21)19-16(13-18(20)22-19)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13H2,1H3
InChIKeyBJVFRGDUMOMWDE-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.62
Rot. Bonds5

About 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one

5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one (PubChem CID 71427356) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one
PubChem CID71427356
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one
SMILESCc1ccc(S(=O)C2OC(=O)CC2CCc2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-7-11-17(12-8-14)23(21)19-16(13-18(20)22-19)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13H2,1H3
InChIKeyBJVFRGDUMOMWDE-UHFFFAOYSA-N
XLogP3.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one?
The IUPAC name of 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one (CID 71427356) is 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one.
What is the SMILES notation for 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one?
The canonical SMILES for 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one is Cc1ccc(S(=O)C2OC(=O)CC2CCc2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one?
The InChIKey is BJVFRGDUMOMWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-14-7-11-17(12-8-14)23(21)19-16(13-18(20)22-19)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13H2,1H3.
What are the key properties of 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one?
5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one has a molecular weight of 328.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfinyl-4-(2-phenylethyl)oxolan-2-one is sourced from PubChem (CID 71427356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).