2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol

C17H19FO3S — CID 110905376

IUPAC2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
SMILESCc1cc(C)cc(CS(=O)(=O)CC(O)c2ccccc2F)c1
InChIInChI=1S/C17H19FO3S/c1-12-7-13(2)9-14(8-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyIPZYQLXMNWGZBC-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.09
Rot. Bonds5

About 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol

2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol (PubChem CID 110905376) has the molecular formula C17H19FO3S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
PubChem CID110905376
Molecular FormulaC17H19FO3S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
SMILESCc1cc(C)cc(CS(=O)(=O)CC(O)c2ccccc2F)c1
InChIInChI=1S/C17H19FO3S/c1-12-7-13(2)9-14(8-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyIPZYQLXMNWGZBC-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905426
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
CID 110905401
1-(3-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanol
CID 111472427
(2S)-1-amino-3-[(3,5-dimethylphenyl)methylsulfonyl]propan-2-ol
CID 114243947
2-[(2,6-difluorophenyl)methylsulfonyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110018275
1-(3,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005773
2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005789
1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
CID 47559173
1-[(3,5-dimethylphenyl)methylsulfonyl]-3-(ethylamino)propan-2-ol
CID 115477161
1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005774

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol (CID 110905376) is 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol is Cc1cc(C)cc(CS(=O)(=O)CC(O)c2ccccc2F)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
The InChIKey is IPZYQLXMNWGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3S/c1-12-7-13(2)9-14(8-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol?
2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol has a molecular weight of 322.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110905376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).