2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane

C20H24O4S — CID 12560523

IUPAC2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane
SMILESCc1ccc(S(=O)(=O)C(Cc2ccccc2)CC2(C)OCCO2)cc1
InChIInChI=1S/C20H24O4S/c1-16-8-10-18(11-9-16)25(21,22)19(14-17-6-4-3-5-7-17)15-20(2)23-12-13-24-20/h3-11,19H,12-15H2,1-2H3
InChIKeyTVJKESSFOHTTOU-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.53
Rot. Bonds6

About 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane

2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane (PubChem CID 12560523) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane
PubChem CID12560523
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane
SMILESCc1ccc(S(=O)(=O)C(Cc2ccccc2)CC2(C)OCCO2)cc1
InChIInChI=1S/C20H24O4S/c1-16-8-10-18(11-9-16)25(21,22)19(14-17-6-4-3-5-7-17)15-20(2)23-12-13-24-20/h3-11,19H,12-15H2,1-2H3
InChIKeyTVJKESSFOHTTOU-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane (CID 12560523) is 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane is Cc1ccc(S(=O)(=O)C(Cc2ccccc2)CC2(C)OCCO2)cc1.
What is the InChIKey of 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane?
The InChIKey is TVJKESSFOHTTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4S/c1-16-8-10-18(11-9-16)25(21,22)19(14-17-6-4-3-5-7-17)15-20(2)23-12-13-24-20/h3-11,19H,12-15H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane?
2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane has a molecular weight of 360.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylphenyl)sulfonyl-3-phenylpropyl]-1,3-dioxolane is sourced from PubChem (CID 12560523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).