5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one

C15H13NO2 — CID 84736801

IUPAC5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)NC2=O
InChIInChI=1S/C15H13NO2/c1-18-11-7-8-12-13(9-11)14(16-15(12)17)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,16,17)
InChIKeyIJYJNQNYIZEGOZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.53
Rot. Bonds2

About 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one

5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one (PubChem CID 84736801) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one
PubChem CID84736801
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)NC2=O
InChIInChI=1S/C15H13NO2/c1-18-11-7-8-12-13(9-11)14(16-15(12)17)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,16,17)
InChIKeyIJYJNQNYIZEGOZ-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxybenzyl)phthalimide
CID 519849
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
Thiazoloisoindol-5-one deriv. 54
CID 455126
4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
CID 68504537
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137363359
4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 739206
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 2766023
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one (CID 84736801) is 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one is COc1ccc2c(c1)C(c1ccccc1)NC2=O.
What is the InChIKey of 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one?
The InChIKey is IJYJNQNYIZEGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-11-7-8-12-13(9-11)14(16-15(12)17)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,16,17).
What are the key properties of 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one?
5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-phenyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 84736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).