(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol

C11H15FOS — CID 78952025

IUPAC(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
SMILESCCCSc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FOS/c1-3-6-14-11-5-4-9(8(2)13)7-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1
InChIKeySIZCLQYWVIAGHA-QMMMGPOBSA-N
MW214.30 g/mol
LogP3.38
Rot. Bonds4

About (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol

(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol (PubChem CID 78952025) has the molecular formula C11H15FOS and a molecular weight of 214.30 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
PubChem CID78952025
Molecular FormulaC11H15FOS
Molecular Weight214.30 g/mol
Exact Mass214.08
IUPAC Name(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
SMILESCCCSc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FOS/c1-3-6-14-11-5-4-9(8(2)13)7-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1
InChIKeySIZCLQYWVIAGHA-QMMMGPOBSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63856190
N-ethyl-2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]sulfanylacetamide
CID 114234790
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 63836206
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-(4-butylsulfanyl-3-chlorophenyl)ethanol
CID 63835923
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol (CID 78952025) is (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol is CCCSc1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol?
The InChIKey is SIZCLQYWVIAGHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FOS/c1-3-6-14-11-5-4-9(8(2)13)7-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol?
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol has a molecular weight of 214.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol is sourced from PubChem (CID 78952025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).