2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane

C19H20O3S — CID 11067435

IUPAC2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane
SMILESCc1ccc(S(=O)(=O)/C(=C/c2ccccc2)C2CCCO2)cc1
InChIInChI=1S/C19H20O3S/c1-15-9-11-17(12-10-15)23(20,21)19(18-8-5-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3/b19-14+
InChIKeyCZQQJGFVODSYRE-XMHGGMMESA-N
MW328.43 g/mol
LogP3.99
Rot. Bonds4

About 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane

2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane (PubChem CID 11067435) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane.

Molecular Properties

Compound Name2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane
PubChem CID11067435
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane
SMILESCc1ccc(S(=O)(=O)/C(=C/c2ccccc2)C2CCCO2)cc1
InChIInChI=1S/C19H20O3S/c1-15-9-11-17(12-10-15)23(20,21)19(18-8-5-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3/b19-14+
InChIKeyCZQQJGFVODSYRE-XMHGGMMESA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane?
The IUPAC name of 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane (CID 11067435) is 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane.
What is the SMILES notation for 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane?
The canonical SMILES for 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane is Cc1ccc(S(=O)(=O)/C(=C/c2ccccc2)C2CCCO2)cc1.
What is the InChIKey of 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane?
The InChIKey is CZQQJGFVODSYRE-XMHGGMMESA-N. The full InChI is InChI=1S/C19H20O3S/c1-15-9-11-17(12-10-15)23(20,21)19(18-8-5-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3/b19-14+.
What are the key properties of 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane?
2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane has a molecular weight of 328.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]oxolane is sourced from PubChem (CID 11067435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).