trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one

C14H18O3 — CID 101184919

IUPACtrans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
SMILESO=C1CC[C@H](O)[C@@H]1[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H18O3/c15-11(14-12(16)8-9-13(14)17)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2/t11-,12-,14-/m0/s1
InChIKeyWMPBIQMQFMNRRM-OBJOEFQTSA-N
MW234.29 g/mol
LogP1.32
Rot. Bonds4

About trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one

trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one (PubChem CID 101184919) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
PubChem CID101184919
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nametrans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
SMILESO=C1CC[C@H](O)[C@@H]1[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H18O3/c15-11(14-12(16)8-9-13(14)17)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2/t11-,12-,14-/m0/s1
InChIKeyWMPBIQMQFMNRRM-OBJOEFQTSA-N
XLogP1.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
1-(1,4-dithian-2-yl)-3-phenylpropan-1-ol
CID 79972288
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10587635
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one
CID 102319337
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
CID 101070884
7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-6-oxocyclohexyl]hept-5-ynoic acid
CID 11661261

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one?
The IUPAC name of trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one (CID 101184919) is trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one.
What is the SMILES notation for trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one?
The canonical SMILES for trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one is O=C1CC[C@H](O)[C@@H]1[C@@H](O)CCc1ccccc1.
What is the InChIKey of trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one?
The InChIKey is WMPBIQMQFMNRRM-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H18O3/c15-11(14-12(16)8-9-13(14)17)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2/t11-,12-,14-/m0/s1.
What are the key properties of trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one?
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one has a molecular weight of 234.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one is sourced from PubChem (CID 101184919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).