[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol

C15H13F3O3S — CID 142774744

IUPAC[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3O3S/c1-22(20,21)11-7-8-12(13(9-11)15(16,17)18)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3
InChIKeyFZLXUKQPSGOEPC-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.19
Rot. Bonds3

About [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol

[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol (PubChem CID 142774744) has the molecular formula C15H13F3O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
PubChem CID142774744
Molecular FormulaC15H13F3O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Name[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
SMILESCS(=O)(=O)c1ccc(C(O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3O3S/c1-22(20,21)11-7-8-12(13(9-11)15(16,17)18)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3
InChIKeyFZLXUKQPSGOEPC-UHFFFAOYSA-N
XLogP3.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
4-methyl-2-[4-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)phenyl]pentanoic acid
CID 68851674
2-methyl-4-methylsulfonyl-1-(trifluoromethyl)benzene
CID 162551925
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
CID 51342018
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168518200
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
CID 10155201

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol?
The IUPAC name of [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol (CID 142774744) is [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol.
What is the SMILES notation for [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol?
The canonical SMILES for [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol is CS(=O)(=O)c1ccc(C(O)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol?
The InChIKey is FZLXUKQPSGOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3S/c1-22(20,21)11-7-8-12(13(9-11)15(16,17)18)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3.
What are the key properties of [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol?
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol has a molecular weight of 330.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol is sourced from PubChem (CID 142774744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).