1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol

C16H17FO3S — CID 110905401

IUPAC1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
SMILESCC(c1ccccc1)S(=O)(=O)CC(O)c1ccccc1F
InChIInChI=1S/C16H17FO3S/c1-12(13-7-3-2-4-8-13)21(19,20)11-16(18)14-9-5-6-10-15(14)17/h2-10,12,16,18H,11H2,1H3
InChIKeyZGWJMQPFZOODKX-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol

1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol (PubChem CID 110905401) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
PubChem CID110905401
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
SMILESCC(c1ccccc1)S(=O)(=O)CC(O)c1ccccc1F
InChIInChI=1S/C16H17FO3S/c1-12(13-7-3-2-4-8-13)21(19,20)11-16(18)14-9-5-6-10-15(14)17/h2-10,12,16,18H,11H2,1H3
InChIKeyZGWJMQPFZOODKX-UHFFFAOYSA-N
XLogP3.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905426
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
CID 111122684
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
1-phenylethanesulfonic acid
CID 10997746
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
1-(2-fluorophenyl)ethyl trifluoromethanesulfonate
CID 102621600

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol (CID 110905401) is 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol is CC(c1ccccc1)S(=O)(=O)CC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol?
The InChIKey is ZGWJMQPFZOODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-12(13-7-3-2-4-8-13)21(19,20)11-16(18)14-9-5-6-10-15(14)17/h2-10,12,16,18H,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol?
1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol has a molecular weight of 308.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol is sourced from PubChem (CID 110905401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).