3-hydroxy-2-methyl-3-phenylisoindol-1-one

C15H13NO2 — CID 3267960

IUPAC3-hydroxy-2-methyl-3-phenylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyMCPPHIBLBWYFKF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.97
Rot. Bonds1

About 3-hydroxy-2-methyl-3-phenylisoindol-1-one

3-hydroxy-2-methyl-3-phenylisoindol-1-one (PubChem CID 3267960) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-phenylisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-phenylisoindol-1-one
PubChem CID3267960
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-hydroxy-2-methyl-3-phenylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyMCPPHIBLBWYFKF-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
CID 554985
2,3-dihydro-3-hydroxy-2-phenyl-1H-isoindol-1-one
CID 86670
3-Hydroxy-2-(2-methylphenyl)isoindolin-1-one
CID 20854937
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
5-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 211451
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
2-(3-Methoxypropyl)-3-oxoisoindoline-4-carboxylic acid
CID 2064477
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The IUPAC name of 3-hydroxy-2-methyl-3-phenylisoindol-1-one (CID 3267960) is 3-hydroxy-2-methyl-3-phenylisoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-3-phenylisoindol-1-one is CN1C(=O)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The InChIKey is MCPPHIBLBWYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3.
What are the key properties of 3-hydroxy-2-methyl-3-phenylisoindol-1-one?
3-hydroxy-2-methyl-3-phenylisoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-phenylisoindol-1-one is sourced from PubChem (CID 3267960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).