(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol

C16H18FNOS — CID 102926203

IUPAC(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(C)nc(Sc2cc(C)c(F)cc2[C@H](C)O)c1
InChIInChI=1S/C16H18FNOS/c1-9-5-11(3)18-16(6-9)20-15-7-10(2)14(17)8-13(15)12(4)19/h5-8,12,19H,1-4H3/t12-/m0/s1
InChIKeySKXUMDNOCIQCJZ-LBPRGKRZSA-N
MW291.39 g/mol
LogP4.35
Rot. Bonds3

About (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol

(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol (PubChem CID 102926203) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
PubChem CID102926203
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(C)nc(Sc2cc(C)c(F)cc2[C@H](C)O)c1
InChIInChI=1S/C16H18FNOS/c1-9-5-11(3)18-16(6-9)20-15-7-10(2)14(17)8-13(15)12(4)19/h5-8,12,19H,1-4H3/t12-/m0/s1
InChIKeySKXUMDNOCIQCJZ-LBPRGKRZSA-N
XLogP4.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-bromo-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorobenzoic acid
CID 107540891
1-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorophenyl]propan-2-amine
CID 102926264
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluorobenzonitrile
CID 102924863
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]sulfanyl-N-methylacetamide
CID 114232136
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
CID 102926059
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923201

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol (CID 102926203) is (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol is Cc1cc(C)nc(Sc2cc(C)c(F)cc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is SKXUMDNOCIQCJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-9-5-11(3)18-16(6-9)20-15-7-10(2)14(17)8-13(15)12(4)19/h5-8,12,19H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol?
(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 102926203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).