1-benzylsulfonyl-2-phenylpropan-2-ol

C16H18O3S — CID 4255750

IUPAC1-benzylsulfonyl-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O3S/c1-16(17,15-10-6-3-7-11-15)13-20(18,19)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKeyGVCDQCOBXVFDJU-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.51
Rot. Bonds5

About 1-benzylsulfonyl-2-phenylpropan-2-ol

1-benzylsulfonyl-2-phenylpropan-2-ol (PubChem CID 4255750) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-benzylsulfonyl-2-phenylpropan-2-ol
PubChem CID4255750
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-benzylsulfonyl-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O3S/c1-16(17,15-10-6-3-7-11-15)13-20(18,19)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKeyGVCDQCOBXVFDJU-UHFFFAOYSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-phenylpropan-2-ol?
The IUPAC name of 1-benzylsulfonyl-2-phenylpropan-2-ol (CID 4255750) is 1-benzylsulfonyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-benzylsulfonyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-benzylsulfonyl-2-phenylpropan-2-ol is CC(O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-2-phenylpropan-2-ol?
The InChIKey is GVCDQCOBXVFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-16(17,15-10-6-3-7-11-15)13-20(18,19)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3.
What are the key properties of 1-benzylsulfonyl-2-phenylpropan-2-ol?
1-benzylsulfonyl-2-phenylpropan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2-phenylpropan-2-ol is sourced from PubChem (CID 4255750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).