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

C16H16ClFOS — CID 103290810

IUPAC(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(SCc2ccccc2Cl)c([C@@H](C)O)cc1F
InChIInChI=1S/C16H16ClFOS/c1-10-7-16(13(11(2)19)8-15(10)18)20-9-12-5-3-4-6-14(12)17/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1
InChIKeyCKMWXEMYCIPAJA-LLVKDONJSA-N
MW310.82 g/mol
LogP5.13
Rot. Bonds4

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

(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol (PubChem CID 103290810) has the molecular formula C16H16ClFOS and a molecular weight of 310.82 g/mol. Its IUPAC name is (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol
PubChem CID103290810
Molecular FormulaC16H16ClFOS
Molecular Weight310.82 g/mol
Exact Mass310.06
IUPAC Name(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(SCc2ccccc2Cl)c([C@@H](C)O)cc1F
InChIInChI=1S/C16H16ClFOS/c1-10-7-16(13(11(2)19)8-15(10)18)20-9-12-5-3-4-6-14(12)17/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1
InChIKeyCKMWXEMYCIPAJA-LLVKDONJSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]sulfanyl-N-methylacetamide
CID 114232136
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 103288661
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
1-[2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288708
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol (CID 103290810) is (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol is Cc1cc(SCc2ccccc2Cl)c([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is CKMWXEMYCIPAJA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFOS/c1-10-7-16(13(11(2)19)8-15(10)18)20-9-12-5-3-4-6-14(12)17/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol?
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 310.82 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 103290810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).