4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C25H19F3O2 — CID 142808679

IUPAC4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3O2/c1-16-23(29)21(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)24(16,30)19-12-14-20(15-13-19)25(26,27)28/h2-16,30H,1H3
InChIKeyDBIHTJQELMXMLA-UHFFFAOYSA-N
MW408.42 g/mol
LogP5.72
Rot. Bonds3

About 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 142808679) has the molecular formula C25H19F3O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID142808679
Molecular FormulaC25H19F3O2
Molecular Weight408.42 g/mol
Exact Mass408.13
IUPAC Name4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3O2/c1-16-23(29)21(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)24(16,30)19-12-14-20(15-13-19)25(26,27)28/h2-16,30H,1H3
InChIKeyDBIHTJQELMXMLA-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236
(4S,5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one
CID 91423117
(2S,3R)-2,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]-2H-naphthalene-1,4-dione
CID 170010040
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(4-methylphenyl)-4-[4-[2-[4-[3-oxo-2,4-diphenyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]ethynyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 123533466
methyl 5-oxo-3,4-diphenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrole-2-carboxylate
CID 166447882
3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol
CID 71613772
(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59131053
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562060
[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 135069666
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 142808679) is 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is DBIHTJQELMXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3O2/c1-16-23(29)21(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)24(16,30)19-12-14-20(15-13-19)25(26,27)28/h2-16,30H,1H3.
What are the key properties of 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 408.42 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2,3-diphenyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 142808679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).