1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone

C19H21NO — CID 71108646

IUPAC1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)cc1C(C)C
InChIInChI=1S/C19H21NO/c1-13(2)18-10-15(9-8-14(18)3)19(21)20-11-16-6-4-5-7-17(16)12-20/h4-10,13H,11-12H2,1-3H3
InChIKeyJYMVKOVGJIWPPB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.27
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone

1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone (PubChem CID 71108646) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
PubChem CID71108646
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)cc1C(C)C
InChIInChI=1S/C19H21NO/c1-13(2)18-10-15(9-8-14(18)3)19(21)20-11-16-6-4-5-7-17(16)12-20/h4-10,13H,11-12H2,1-3H3
InChIKeyJYMVKOVGJIWPPB-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
(3-bromo-4-methylphenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 79466189
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
CID 156596218
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
(5-amino-1,3-dihydroisoindol-2-yl)-(4-propan-2-ylphenyl)methanone
CID 66000487

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone (CID 71108646) is 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone is Cc1ccc(C(=O)N2Cc3ccccc3C2)cc1C(C)C.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone?
The InChIKey is JYMVKOVGJIWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)18-10-15(9-8-14(18)3)19(21)20-11-16-6-4-5-7-17(16)12-20/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone?
1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone has a molecular weight of 279.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 71108646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).