(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol

C15H15FOS — CID 78951488

IUPAC(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(16)9-13(15)11(2)17/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeyDHFYVIDSPJWHND-NSHDSACASA-N
MW262.35 g/mol
LogP4.34
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol

(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 78951488) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
PubChem CID78951488
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H15FOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(16)9-13(15)11(2)17/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeyDHFYVIDSPJWHND-NSHDSACASA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]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-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
CID 63836021
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
(1R)-1-[5-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 78951688
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
CID 63813808

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol (CID 78951488) is (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol is Cc1ccccc1Sc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is DHFYVIDSPJWHND-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(16)9-13(15)11(2)17/h3-9,11,17H,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol?
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol has a molecular weight of 262.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).