2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol

C17H19ClO3S — CID 3726665

IUPAC2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClO3S/c1-13-3-5-14(6-4-13)11-22(20,21)12-17(2,19)15-7-9-16(18)10-8-15/h3-10,19H,11-12H2,1-2H3
InChIKeyVJXRGWNVXZSFBA-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol

2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol (PubChem CID 3726665) has the molecular formula C17H19ClO3S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol
PubChem CID3726665
Molecular FormulaC17H19ClO3S
Molecular Weight338.86 g/mol
Exact Mass338.07
IUPAC Name2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClO3S/c1-13-3-5-14(6-4-13)11-22(20,21)12-17(2,19)15-7-9-16(18)10-8-15/h3-10,19H,11-12H2,1-2H3
InChIKeyVJXRGWNVXZSFBA-UHFFFAOYSA-N
XLogP3.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rac-2-(4-(2-chlorophenylsulfonyl)phenyl)propan-2-ol
CID 11688174
2-[(4-Chlorobenzyl)sulfinyl]-1,1-diphenyl-1-ethanol
CID 2765169
2-(Benzylsulfinyl)-1,1-bis(4-chlorophenyl)-1-ethanol
CID 2765180
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091
1-(Benzylsulfonyl)-2-(4-chlorophenyl)-2-propanol
CID 3728084
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
1-(Benzylsulfonyl)-2-phenyl-2-propanol
CID 4255750
1-(Benzylsulfonyl)-2-(2-chlorophenyl)-2-propanol
CID 4359649
1-[(2-Chlorobenzyl)sulfonyl]-2-(4-methylphenyl)-2-propanol
CID 4552303
1-[(4-Methylbenzyl)sulfonyl]-2-phenyl-2-propanol
CID 4309412
(E)-1-(benzenesulfonyl)-4-(4-chlorophenyl)-1-fluoro-2-phenylbut-3-en-2-ol
CID 135062247
1,1-Bis(4-chlorophenyl)-2-methylsulfinylethanol
CID 2725988

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol (CID 3726665) is 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol is Cc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is VJXRGWNVXZSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3S/c1-13-3-5-14(6-4-13)11-22(20,21)12-17(2,19)15-7-9-16(18)10-8-15/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 338.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 3726665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).