3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one

C23H19NO2 — CID 132607709

IUPAC3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one
SMILESCC1(CC(=O)c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C23H19NO2/c1-23(15-21(25)17-10-6-3-7-11-17)20-14-18(16-8-4-2-5-9-16)12-13-19(20)22(26)24-23/h2-14H,15H2,1H3,(H,24,26)
InChIKeyKRKLSJBZFQIJBL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.59
Rot. Bonds4

About 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one

3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one (PubChem CID 132607709) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one.

Molecular Properties

Compound Name3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one
PubChem CID132607709
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one
SMILESCC1(CC(=O)c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C23H19NO2/c1-23(15-21(25)17-10-6-3-7-11-17)20-14-18(16-8-4-2-5-9-16)12-13-19(20)22(26)24-23/h2-14H,15H2,1H3,(H,24,26)
InChIKeyKRKLSJBZFQIJBL-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]-3-methyl-2H-isoindol-1-one
CID 132607715
5-(3-acetylphenyl)-3,3-dimethyl-2H-inden-1-one
CID 69039120
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
(4S)-2,4-dimethyl-4-phenacylisoquinoline-1,3-dione
CID 139094558
(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 1075623
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 13382168
methyl 6-methyl-3-oxo-1-(3-phenylphenyl)-2H-isoindole-1-carboxylate
CID 176522457
2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)-1-phenylethanone
CID 13172673
9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one?
The IUPAC name of 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one (CID 132607709) is 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one.
What is the SMILES notation for 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one?
The canonical SMILES for 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one is CC1(CC(=O)c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one?
The InChIKey is KRKLSJBZFQIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-23(15-21(25)17-10-6-3-7-11-17)20-14-18(16-8-4-2-5-9-16)12-13-19(20)22(26)24-23/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one?
3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one has a molecular weight of 341.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenacyl-5-phenyl-2H-isoindol-1-one is sourced from PubChem (CID 132607709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).