(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol

C12H17FOS — CID 63813206

IUPAC(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
SMILESCCC(C)Sc1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C12H17FOS/c1-4-8(2)15-12-6-5-10(13)7-11(12)9(3)14/h5-9,14H,4H2,1-3H3/t8?,9-/m1/s1
InChIKeyHVDOKRTZTLPZKG-YGPZHTELSA-N
MW228.33 g/mol
LogP3.77
Rot. Bonds4

About (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol

(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol (PubChem CID 63813206) has the molecular formula C12H17FOS and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
PubChem CID63813206
Molecular FormulaC12H17FOS
Molecular Weight228.33 g/mol
Exact Mass228.10
IUPAC Name(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
SMILESCCC(C)Sc1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C12H17FOS/c1-4-8(2)15-12-6-5-10(13)7-11(12)9(3)14/h5-9,14H,4H2,1-3H3/t8?,9-/m1/s1
InChIKeyHVDOKRTZTLPZKG-YGPZHTELSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1R)-1-(2-butan-2-ylsulfanylphenyl)ethanol
CID 78951829
2-butan-2-ylsulfanyl-5-fluorobenzoic acid
CID 63674866
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]ethanamine
CID 63806400
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
CID 79026882
2-butan-2-ylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004102
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol (CID 63813206) is (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol is CCC(C)Sc1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol?
The InChIKey is HVDOKRTZTLPZKG-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17FOS/c1-4-8(2)15-12-6-5-10(13)7-11(12)9(3)14/h5-9,14H,4H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol?
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol has a molecular weight of 228.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol is sourced from PubChem (CID 63813206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).