1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol

C16H17FO3S — CID 47559298

IUPAC1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
SMILESCc1ccccc1CS(=O)(=O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3S/c1-12-4-2-3-5-14(12)10-21(19,20)11-16(18)13-6-8-15(17)9-7-13/h2-9,16,18H,10-11H2,1H3
InChIKeyQPZLYEZHEZNSNZ-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol

1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol (PubChem CID 47559298) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
PubChem CID47559298
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
SMILESCc1ccccc1CS(=O)(=O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3S/c1-12-4-2-3-5-14(12)10-21(19,20)11-16(18)13-6-8-15(17)9-7-13/h2-9,16,18H,10-11H2,1H3
InChIKeyQPZLYEZHEZNSNZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
1-(4-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62630002
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 4207378
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 94002660
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
CID 111437334
[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476755
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 86923007

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol (CID 47559298) is 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol is Cc1ccccc1CS(=O)(=O)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol?
The InChIKey is QPZLYEZHEZNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-12-4-2-3-5-14(12)10-21(19,20)11-16(18)13-6-8-15(17)9-7-13/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol?
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol has a molecular weight of 308.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol is sourced from PubChem (CID 47559298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).