2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol

C15H14ClFOS — CID 115839731

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClFOS/c1-19-15-5-3-2-4-12(15)14(18)8-10-6-7-11(16)9-13(10)17/h2-7,9,14,18H,8H2,1H3
InChIKeyUBPOTSBELSWDES-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol (PubChem CID 115839731) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
PubChem CID115839731
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClFOS/c1-19-15-5-3-2-4-12(15)14(18)8-10-6-7-11(16)9-13(10)17/h2-7,9,14,18H,8H2,1H3
InChIKeyUBPOTSBELSWDES-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol (CID 115839731) is 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol is CSc1ccccc1C(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol?
The InChIKey is UBPOTSBELSWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c1-19-15-5-3-2-4-12(15)14(18)8-10-6-7-11(16)9-13(10)17/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol has a molecular weight of 296.79 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 115839731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).