(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one

C24H20O2 — CID 70037236

IUPAC(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@]1(O)c1ccccc1
InChIInChI=1S/C24H20O2/c1-17-23(25)21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24(17,26)20-15-9-4-10-16-20/h2-17,26H,1H3/t17-,24-/m1/s1
InChIKeyRUFRUYRQDZSWAT-MZNJEOGPSA-N
MW340.42 g/mol
LogP4.70
Rot. Bonds3

About (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one

(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one (PubChem CID 70037236) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
PubChem CID70037236
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@]1(O)c1ccccc1
InChIInChI=1S/C24H20O2/c1-17-23(25)21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24(17,26)20-15-9-4-10-16-20/h2-17,26H,1H3/t17-,24-/m1/s1
InChIKeyRUFRUYRQDZSWAT-MZNJEOGPSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one (CID 70037236) is (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one is C[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@]1(O)c1ccccc1.
What is the InChIKey of (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The InChIKey is RUFRUYRQDZSWAT-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H20O2/c1-17-23(25)21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24(17,26)20-15-9-4-10-16-20/h2-17,26H,1H3/t17-,24-/m1/s1.
What are the key properties of (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one has a molecular weight of 340.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one is sourced from PubChem (CID 70037236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).