2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone

C16H15NO — CID 116613082

IUPAC2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H15NO/c1-11-4-2-3-5-15(11)16(18)12-6-7-13-9-17-10-14(13)8-12/h2-8,17H,9-10H2,1H3
InChIKeyLDKSSSAPURKVNL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.83
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone

2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone (PubChem CID 116613082) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
PubChem CID116613082
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H15NO/c1-11-4-2-3-5-15(11)16(18)12-6-7-13-9-17-10-14(13)8-12/h2-8,17H,9-10H2,1H3
InChIKeyLDKSSSAPURKVNL-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
CID 116613024
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
CID 116612971
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
CID 116613125
4-(2-methylbenzoyl)phthalic acid
CID 22362607
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone (CID 116613082) is 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone?
The InChIKey is LDKSSSAPURKVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-4-2-3-5-15(11)16(18)12-6-7-13-9-17-10-14(13)8-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone has a molecular weight of 237.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone is sourced from PubChem (CID 116613082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).