1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol

C11H14ClFO3S — CID 63192126

IUPAC1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO3S/c1-17(15,16)6-2-3-11(14)9-5-4-8(12)7-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyWTQJAXLQLZMEML-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.34
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol

1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol (PubChem CID 63192126) has the molecular formula C11H14ClFO3S and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
PubChem CID63192126
Molecular FormulaC11H14ClFO3S
Molecular Weight280.75 g/mol
Exact Mass280.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO3S/c1-17(15,16)6-2-3-11(14)9-5-4-8(12)7-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyWTQJAXLQLZMEML-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780077
1-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780199
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
CID 116504660
1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 65150848
1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 115790708
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
butyl 4-(4-chloro-2-fluorophenyl)-4-hydroxybutanoate
CID 114859603
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol (CID 63192126) is 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is WTQJAXLQLZMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3S/c1-17(15,16)6-2-3-11(14)9-5-4-8(12)7-10(9)13/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol?
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 280.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 63192126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).