5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran

C26H24O3S — CID 132538467

IUPAC5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran
SMILESC=C(c1ccccc1)C1COCC(S(=O)(=O)c2ccc(C)cc2)=C1c1ccccc1
InChIInChI=1S/C26H24O3S/c1-19-13-15-23(16-14-19)30(27,28)25-18-29-17-24(20(2)21-9-5-3-6-10-21)26(25)22-11-7-4-8-12-22/h3-16,24H,2,17-18H2,1H3
InChIKeyCOJFHWSMGHZEIG-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.54
Rot. Bonds5

About 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran

5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran (PubChem CID 132538467) has the molecular formula C26H24O3S and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran
PubChem CID132538467
Molecular FormulaC26H24O3S
Molecular Weight416.54 g/mol
Exact Mass416.14
IUPAC Name5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran
SMILESC=C(c1ccccc1)C1COCC(S(=O)(=O)c2ccc(C)cc2)=C1c1ccccc1
InChIInChI=1S/C26H24O3S/c1-19-13-15-23(16-14-19)30(27,28)25-18-29-17-24(20(2)21-9-5-3-6-10-21)26(25)22-11-7-4-8-12-22/h3-16,24H,2,17-18H2,1H3
InChIKeyCOJFHWSMGHZEIG-UHFFFAOYSA-N
XLogP5.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran (CID 132538467) is 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran is C=C(c1ccccc1)C1COCC(S(=O)(=O)c2ccc(C)cc2)=C1c1ccccc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran?
The InChIKey is COJFHWSMGHZEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3S/c1-19-13-15-23(16-14-19)30(27,28)25-18-29-17-24(20(2)21-9-5-3-6-10-21)26(25)22-11-7-4-8-12-22/h3-16,24H,2,17-18H2,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran?
5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran has a molecular weight of 416.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-4-phenyl-3-(1-phenylethenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 132538467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).