1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol

C17H20O4S — CID 3670812

IUPAC1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyRWPJPGBTHGSPQM-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds6

About 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol

1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol (PubChem CID 3670812) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
PubChem CID3670812
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyRWPJPGBTHGSPQM-UHFFFAOYSA-N
XLogP2.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol (CID 3670812) is 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol is COc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The InChIKey is RWPJPGBTHGSPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol has a molecular weight of 320.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol is sourced from PubChem (CID 3670812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).