1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol

C16H18O3S — CID 15850358

IUPAC1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13-8-10-15(11-9-13)20(18,19)12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3
InChIKeyUFXWUSAAGJDPOF-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol

1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol (PubChem CID 15850358) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol
PubChem CID15850358
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13-8-10-15(11-9-13)20(18,19)12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3
InChIKeyUFXWUSAAGJDPOF-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol (CID 15850358) is 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol?
The InChIKey is UFXWUSAAGJDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-13-8-10-15(11-9-13)20(18,19)12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol?
1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenylpropan-2-ol is sourced from PubChem (CID 15850358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).