2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol

C16H17FO3S — CID 106585237

IUPAC2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FO3S/c1-11-7-9-13(10-8-11)16(18)12(2)21(19,20)15-6-4-3-5-14(15)17/h3-10,12,16,18H,1-2H3
InChIKeyXNPOXAGEMRRGFZ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol

2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol (PubChem CID 106585237) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol
PubChem CID106585237
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FO3S/c1-11-7-9-13(10-8-11)16(18)12(2)21(19,20)15-6-4-3-5-14(15)17/h3-10,12,16,18H,1-2H3
InChIKeyXNPOXAGEMRRGFZ-UHFFFAOYSA-N
XLogP3.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol (CID 106585237) is 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol?
The InChIKey is XNPOXAGEMRRGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-11-7-9-13(10-8-11)16(18)12(2)21(19,20)15-6-4-3-5-14(15)17/h3-10,12,16,18H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol?
2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol has a molecular weight of 308.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106585237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).