(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol

C15H14ClFOS — CID 104971602

IUPAC(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFOS/c1-10(18)14-8-13(17)6-7-15(14)19-9-11-2-4-12(16)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyCJEGLHNTEPPRDU-SNVBAGLBSA-N
MW296.79 g/mol
LogP4.82
Rot. Bonds4

About (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol

(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol (PubChem CID 104971602) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
PubChem CID104971602
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFOS/c1-10(18)14-8-13(17)6-7-15(14)19-9-11-2-4-12(16)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyCJEGLHNTEPPRDU-SNVBAGLBSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792411
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
1-[3-bromo-4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792436
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
CID 79026882
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
4-[(4-chlorophenyl)methylsulfanyl]-3-(difluoromethyl)aniline
CID 114790191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol (CID 104971602) is (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1SCc1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol?
The InChIKey is CJEGLHNTEPPRDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClFOS/c1-10(18)14-8-13(17)6-7-15(14)19-9-11-2-4-12(16)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol has a molecular weight of 296.79 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 104971602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).