2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane

C20H16O2S — CID 86766827

IUPAC2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane
SMILESO=S(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O2S/c21-23(18-9-5-2-6-10-18)20-19(22-20)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14,19-20H
InChIKeyWMQZXFFCVVWIGR-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.56
Rot. Bonds4

About 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane

2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane (PubChem CID 86766827) has the molecular formula C20H16O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane
PubChem CID86766827
Molecular FormulaC20H16O2S
Molecular Weight320.41 g/mol
Exact Mass320.09
IUPAC Name2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane
SMILESO=S(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O2S/c21-23(18-9-5-2-6-10-18)20-19(22-20)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14,19-20H
InChIKeyWMQZXFFCVVWIGR-UHFFFAOYSA-N
XLogP4.56
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane?
The IUPAC name of 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane (CID 86766827) is 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane.
What is the SMILES notation for 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane?
The canonical SMILES for 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane is O=S(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane?
The InChIKey is WMQZXFFCVVWIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S/c21-23(18-9-5-2-6-10-18)20-19(22-20)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14,19-20H.
What are the key properties of 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane?
2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane has a molecular weight of 320.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3-(4-phenylphenyl)oxirane is sourced from PubChem (CID 86766827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).