2-(4-methoxyphenyl)-3H-isoindol-1-one

C15H13NO2 — CID 829359

IUPAC2-(4-methoxyphenyl)-3H-isoindol-1-one
SMILESCOc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H13NO2/c1-18-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15(16)17/h2-9H,10H2,1H3
InChIKeyXZCRJQBSQFTGQO-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-methoxyphenyl)-3H-isoindol-1-one

2-(4-methoxyphenyl)-3H-isoindol-1-one (PubChem CID 829359) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3H-isoindol-1-one
PubChem CID829359
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(4-methoxyphenyl)-3H-isoindol-1-one
SMILESCOc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H13NO2/c1-18-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15(16)17/h2-9H,10H2,1H3
InChIKeyXZCRJQBSQFTGQO-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etomidoline
CID 3309
Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-(4-methoxybenzyl)phthalimide
CID 519849
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
Amphotalide
CID 71806
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3H-isoindol-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3H-isoindol-1-one (CID 829359) is 2-(4-methoxyphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3H-isoindol-1-one is COc1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3H-isoindol-1-one?
The InChIKey is XZCRJQBSQFTGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3H-isoindol-1-one?
2-(4-methoxyphenyl)-3H-isoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 829359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).