4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol

C12H16O2S — CID 67808462

IUPAC4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
SMILESOc1ccc(S[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C12H16O2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-14H,1-4H2/t11-,12-/m0/s1
InChIKeyQRWKXVSVGGXUJN-RYUDHWBXSA-N
MW224.32 g/mol
LogP2.79
Rot. Bonds2

About 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol

4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol (PubChem CID 67808462) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol.

Molecular Properties

Compound Name4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
PubChem CID67808462
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
SMILESOc1ccc(S[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C12H16O2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-14H,1-4H2/t11-,12-/m0/s1
InChIKeyQRWKXVSVGGXUJN-RYUDHWBXSA-N
XLogP2.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol?
The IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol (CID 67808462) is 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol.
What is the SMILES notation for 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol?
The canonical SMILES for 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol is Oc1ccc(S[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol?
The InChIKey is QRWKXVSVGGXUJN-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-14H,1-4H2/t11-,12-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol?
4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol has a molecular weight of 224.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol is sourced from PubChem (CID 67808462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).