(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one

C22H19NO2 — CID 10871207

IUPAC(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2[C@H](c2ccccc2)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-15-20(16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(23)25/h1-14,20-21,24H,15H2/t20-,21+/m1/s1
InChIKeyXOGFKXHVZINQLS-RTWAWAEBSA-N
MW329.40 g/mol
LogP3.97
Rot. Bonds4

About (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one

(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one (PubChem CID 10871207) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one
PubChem CID10871207
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2[C@H](c2ccccc2)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-15-20(16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(23)25/h1-14,20-21,24H,15H2/t20-,21+/m1/s1
InChIKeyXOGFKXHVZINQLS-RTWAWAEBSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one?
The IUPAC name of (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one (CID 10871207) is (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one.
What is the SMILES notation for (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one?
The canonical SMILES for (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one is O=C1c2ccccc2[C@H](c2ccccc2)N1[C@H](CO)c1ccccc1.
What is the InChIKey of (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one?
The InChIKey is XOGFKXHVZINQLS-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H19NO2/c24-15-20(16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(23)25/h1-14,20-21,24H,15H2/t20-,21+/m1/s1.
What are the key properties of (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one?
(3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 10871207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).