1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol

C11H15FOS — CID 65131091

IUPAC1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol
SMILESCCSCC(O)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3
InChIKeyILEJGOGEFBSMTL-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.48
Rot. Bonds5

About 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol

1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol (PubChem CID 65131091) has the molecular formula C11H15FOS and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol
PubChem CID65131091
Molecular FormulaC11H15FOS
Molecular Weight214.30 g/mol
Exact Mass214.08
IUPAC Name1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol
SMILESCCSCC(O)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3
InChIKeyILEJGOGEFBSMTL-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
CID 83174968
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
CID 115041325
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol (CID 65131091) is 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol is CCSCC(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is ILEJGOGEFBSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol?
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65131091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).