2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one

C17H17NO2 — CID 3749329

IUPAC2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(CO)Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-15(10-13-6-2-1-3-7-13)18-11-14-8-4-5-9-16(14)17(18)20/h1-9,15,19H,10-12H2
InChIKeyMVAXIJWHRHEUIG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.25
Rot. Bonds4

About 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one

2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one (PubChem CID 3749329) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one
PubChem CID3749329
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C(CO)Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-15(10-13-6-2-1-3-7-13)18-11-14-8-4-5-9-16(14)17(18)20/h1-9,15,19H,10-12H2
InChIKeyMVAXIJWHRHEUIG-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phthaloyl-DL-phenylalanine
CID 227754
N-Cyclohexylphthalimide
CID 225739
Nolasiban
CID 52947354
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
CID 272803
2-Benzylisoindolin-1-one
CID 1485883
N-(3-Phenylallyl)phthalimide
CID 5389074
(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 334207
(2S)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
CID 1486764
(2R)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
CID 1486765
(2S)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 5309580
Benzylphthalimide
CID 75059
N-(2-Hydroxyethyl)phthalimide
CID 77499

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one (CID 3749329) is 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one is O=C1c2ccccc2CN1C(CO)Cc1ccccc1.
What is the InChIKey of 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one?
The InChIKey is MVAXIJWHRHEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-15(10-13-6-2-1-3-7-13)18-11-14-8-4-5-9-16(14)17(18)20/h1-9,15,19H,10-12H2.
What are the key properties of 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one?
2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one has a molecular weight of 267.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-phenylpropan-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 3749329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).