1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol

C17H17F3O4S — CID 166447685

IUPAC1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol
SMILESCOc1ccc(C(O)(CS(=O)c2ccccc2OC)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O4S/c1-23-13-9-7-12(8-10-13)16(21,17(18,19)20)11-25(22)15-6-4-3-5-14(15)24-2/h3-10,21H,11H2,1-2H3
InChIKeyVAPMNPJMMLSHAS-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.26
Rot. Bonds6

About 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol

1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol (PubChem CID 166447685) has the molecular formula C17H17F3O4S and a molecular weight of 374.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol
PubChem CID166447685
Molecular FormulaC17H17F3O4S
Molecular Weight374.38 g/mol
Exact Mass374.08
IUPAC Name1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol
SMILESCOc1ccc(C(O)(CS(=O)c2ccccc2OC)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O4S/c1-23-13-9-7-12(8-10-13)16(21,17(18,19)20)11-25(22)15-6-4-3-5-14(15)24-2/h3-10,21H,11H2,1-2H3
InChIKeyVAPMNPJMMLSHAS-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol (CID 166447685) is 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol is COc1ccc(C(O)(CS(=O)c2ccccc2OC)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol?
The InChIKey is VAPMNPJMMLSHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O4S/c1-23-13-9-7-12(8-10-13)16(21,17(18,19)20)11-25(22)15-6-4-3-5-14(15)24-2/h3-10,21H,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol?
1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol has a molecular weight of 374.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methoxyphenyl)-3-(2-methoxyphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 166447685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).