[(1S,3S)-3-hydroxycyclopentyl] benzoate

C12H14O3 — CID 177453571

IUPAC[(1S,3S)-3-hydroxycyclopentyl] benzoate
SMILESO=C(O[C@H]1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C12H14O3/c13-10-6-7-11(8-10)15-12(14)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m0/s1
InChIKeyXGOUCUCYLMOLSH-QWRGUYRKSA-N
MW206.24 g/mol
LogP1.76
Rot. Bonds2

About [(1S,3S)-3-hydroxycyclopentyl] benzoate

[(1S,3S)-3-hydroxycyclopentyl] benzoate (PubChem CID 177453571) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(1S,3S)-3-hydroxycyclopentyl] benzoate.

Molecular Properties

Compound Name[(1S,3S)-3-hydroxycyclopentyl] benzoate
PubChem CID177453571
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(1S,3S)-3-hydroxycyclopentyl] benzoate
SMILESO=C(O[C@H]1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C12H14O3/c13-10-6-7-11(8-10)15-12(14)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m0/s1
InChIKeyXGOUCUCYLMOLSH-QWRGUYRKSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-3-hydroxycyclopentyl] 4-bromobenzoate
CID 135283023
[(1R,3S,4S)-3-fluoro-4-hydroxycyclohexyl] benzoate
CID 59834848
(4-methoxycyclohexyl) benzoate
CID 101493670
(3-methoxycarbonylcyclopentyl) benzoate
CID 135191852
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl benzoate
CID 70530172
CID 87858468
CID 87858468
[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
[(1R,3R)-3-tert-butylcyclohexyl] benzoate
CID 90714659
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
[(2S,4aS,7S)-7-hydroxy-4a-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-2-yl] benzoate
CID 11312202

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-hydroxycyclopentyl] benzoate?
The IUPAC name of [(1S,3S)-3-hydroxycyclopentyl] benzoate (CID 177453571) is [(1S,3S)-3-hydroxycyclopentyl] benzoate.
What is the SMILES notation for [(1S,3S)-3-hydroxycyclopentyl] benzoate?
The canonical SMILES for [(1S,3S)-3-hydroxycyclopentyl] benzoate is O=C(O[C@H]1CC[C@H](O)C1)c1ccccc1.
What is the InChIKey of [(1S,3S)-3-hydroxycyclopentyl] benzoate?
The InChIKey is XGOUCUCYLMOLSH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-6-7-11(8-10)15-12(14)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m0/s1.
What are the key properties of [(1S,3S)-3-hydroxycyclopentyl] benzoate?
[(1S,3S)-3-hydroxycyclopentyl] benzoate has a molecular weight of 206.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-hydroxycyclopentyl] benzoate is sourced from PubChem (CID 177453571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).