2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone

C18H19NO — CID 62206452

IUPAC2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CN2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19NO/c1-13-7-8-14(2)17(9-13)18(20)12-19-10-15-5-3-4-6-16(15)11-19/h3-9H,10-12H2,1-2H3
InChIKeyHEIVHPGCEBHXHY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.50
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone

2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 62206452) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
PubChem CID62206452
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CN2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19NO/c1-13-7-8-14(2)17(9-13)18(20)12-19-10-15-5-3-4-6-16(15)11-19/h3-9H,10-12H2,1-2H3
InChIKeyHEIVHPGCEBHXHY-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66085532
1-(2-chloro-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82050185
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
1-(2,5-dimethylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62031456
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936135
1-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366633
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
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CID 63622261

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone (CID 62206452) is 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CN2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is HEIVHPGCEBHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-8-14(2)17(9-13)18(20)12-19-10-15-5-3-4-6-16(15)11-19/h3-9H,10-12H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone?
2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 62206452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).