2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol

C16H16ClFOS — CID 106848185

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H16ClFOS/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3
InChIKeyRTNBBWXULWPLQW-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.87
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol (PubChem CID 106848185) has the molecular formula C16H16ClFOS and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
PubChem CID106848185
Molecular FormulaC16H16ClFOS
Molecular Weight310.82 g/mol
Exact Mass310.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H16ClFOS/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3
InChIKeyRTNBBWXULWPLQW-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102856962
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
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2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
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CID 103452798

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol (CID 106848185) is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol is CCSc1ccc(C(O)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The InChIKey is RTNBBWXULWPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFOS/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15,19H,2,10H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol has a molecular weight of 310.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol is sourced from PubChem (CID 106848185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).