6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one

C15H15NO — CID 66489900

IUPAC6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1ccc(C2CC(=O)c3c[nH]cc3C2)cc1
InChIInChI=1S/C15H15NO/c1-10-2-4-11(5-3-10)12-6-13-8-16-9-14(13)15(17)7-12/h2-5,8-9,12,16H,6-7H2,1H3
InChIKeyFEZYIZXEQBSEKK-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.24
Rot. Bonds1

About 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one

6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one (PubChem CID 66489900) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one
PubChem CID66489900
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1ccc(C2CC(=O)c3c[nH]cc3C2)cc1
InChIInChI=1S/C15H15NO/c1-10-2-4-11(5-3-10)12-6-13-8-16-9-14(13)15(17)7-12/h2-5,8-9,12,16H,6-7H2,1H3
InChIKeyFEZYIZXEQBSEKK-UHFFFAOYSA-N
XLogP3.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(4-methylphenyl)-3-oxocyclohexen-1-yl] acetate
CID 2739730
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
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methyl 3-methyl-6-(4-methylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 3241795
9-(4-methylphenyl)-6-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 627587
(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769140
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
(6S)-2,6-bis(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29100674
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
methyl (4R,7R)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1117605
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one?
The IUPAC name of 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one (CID 66489900) is 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one.
What is the SMILES notation for 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one?
The canonical SMILES for 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one is Cc1ccc(C2CC(=O)c3c[nH]cc3C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one?
The InChIKey is FEZYIZXEQBSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-2-4-11(5-3-10)12-6-13-8-16-9-14(13)15(17)7-12/h2-5,8-9,12,16H,6-7H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one?
6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one has a molecular weight of 225.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2,5,6,7-tetrahydroisoindol-4-one is sourced from PubChem (CID 66489900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).