4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one

C17H15NO2 — CID 21266548

IUPAC4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one
SMILESCc1cccc(C2=CC(=O)CC2(O)c2ccncc2)c1
InChIInChI=1S/C17H15NO2/c1-12-3-2-4-13(9-12)16-10-15(19)11-17(16,20)14-5-7-18-8-6-14/h2-10,20H,11H2,1H3
InChIKeyUCVFXNVENTWSLO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.63
Rot. Bonds2

About 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one

4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one (PubChem CID 21266548) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one
PubChem CID21266548
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one
SMILESCc1cccc(C2=CC(=O)CC2(O)c2ccncc2)c1
InChIInChI=1S/C17H15NO2/c1-12-3-2-4-13(9-12)16-10-15(19)11-17(16,20)14-5-7-18-8-6-14/h2-10,20H,11H2,1H3
InChIKeyUCVFXNVENTWSLO-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-ol
CID 142646871
butane;4-(3-methylphenyl)pyridine
CID 155692257
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
(6S)-2-amino-6-methyl-6-[4-(3-methylphenyl)thiophen-2-yl]-3-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one
CID 69092804
nickel(2+);tetrakis(4-phenylpyridine);bis(1,3-xylene);diisothiocyanate
CID 139198057
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one (CID 21266548) is 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one is Cc1cccc(C2=CC(=O)CC2(O)c2ccncc2)c1.
What is the InChIKey of 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one?
The InChIKey is UCVFXNVENTWSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-3-2-4-13(9-12)16-10-15(19)11-17(16,20)14-5-7-18-8-6-14/h2-10,20H,11H2,1H3.
What are the key properties of 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one?
4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylphenyl)-4-pyridin-4-ylcyclopent-2-en-1-one is sourced from PubChem (CID 21266548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).