3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol

C11H14O2S — CID 102735808

IUPAC3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol
SMILESOc1cccc(S[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C11H14O2S/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-13H,2,5-6H2/t10-,11-/m1/s1
InChIKeyHHTLNHUYKQGZJY-GHMZBOCLSA-N
MW210.30 g/mol
LogP2.40
Rot. Bonds2

About 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol

3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol (PubChem CID 102735808) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol.

Molecular Properties

Compound Name3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol
PubChem CID102735808
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol
SMILESOc1cccc(S[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C11H14O2S/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-13H,2,5-6H2/t10-,11-/m1/s1
InChIKeyHHTLNHUYKQGZJY-GHMZBOCLSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol?
The IUPAC name of 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol (CID 102735808) is 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol.
What is the SMILES notation for 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol?
The canonical SMILES for 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol is Oc1cccc(S[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol?
The InChIKey is HHTLNHUYKQGZJY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14O2S/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-13H,2,5-6H2/t10-,11-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol?
3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol has a molecular weight of 210.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol is sourced from PubChem (CID 102735808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).