3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one

C22H19NO2 — CID 2974992

IUPAC3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,18-11-5-2-6-12-18)23(21)16-15-17-9-3-1-4-10-17/h1-14,25H,15-16H2
InChIKeyGXYZZGJQKKAIRA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.58
Rot. Bonds4

About 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one

3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one (PubChem CID 2974992) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one
PubChem CID2974992
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,18-11-5-2-6-12-18)23(21)16-15-17-9-3-1-4-10-17/h1-14,25H,15-16H2
InChIKeyGXYZZGJQKKAIRA-UHFFFAOYSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one?
The IUPAC name of 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one (CID 2974992) is 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ccccc2)N1CCc1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one?
The InChIKey is GXYZZGJQKKAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,18-11-5-2-6-12-18)23(21)16-15-17-9-3-1-4-10-17/h1-14,25H,15-16H2.
What are the key properties of 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one?
3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-2-(2-phenylethyl)isoindol-1-one is sourced from PubChem (CID 2974992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).