(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one

C23H20O2 — CID 98160666

IUPAC(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
SMILESO=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2/t21-,22-,23+/m1/s1
InChIKeyKAEAITWIXLBOTC-ZLNRFVROSA-N
MW328.41 g/mol
LogP4.41
Rot. Bonds3

About (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one

(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one (PubChem CID 98160666) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
PubChem CID98160666
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
SMILESO=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2/t21-,22-,23+/m1/s1
InChIKeyKAEAITWIXLBOTC-ZLNRFVROSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 92842685
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283
(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one
CID 10734047
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol
CID 3367715

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The IUPAC name of (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one (CID 98160666) is (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one is O=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The InChIKey is KAEAITWIXLBOTC-ZLNRFVROSA-N. The full InChI is InChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2/t21-,22-,23+/m1/s1.
What are the key properties of (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one has a molecular weight of 328.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one is sourced from PubChem (CID 98160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).