(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one

C19H21NO2 — CID 11312471

IUPAC(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one
SMILESCCC[C@@H]1c2ccccc2C(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-8-17-15-11-6-7-12-16(15)19(22)20(17)18(13-21)14-9-4-3-5-10-14/h3-7,9-12,17-18,21H,2,8,13H2,1H3/t17-,18+/m1/s1
InChIKeyIFBOHQQORLKXEX-MSOLQXFVSA-N
MW295.38 g/mol
LogP3.72
Rot. Bonds5

About (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one

(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one (PubChem CID 11312471) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one
PubChem CID11312471
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one
SMILESCCC[C@@H]1c2ccccc2C(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-8-17-15-11-6-7-12-16(15)19(22)20(17)18(13-21)14-9-4-3-5-10-14/h3-7,9-12,17-18,21H,2,8,13H2,1H3/t17-,18+/m1/s1
InChIKeyIFBOHQQORLKXEX-MSOLQXFVSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one?
The IUPAC name of (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one (CID 11312471) is (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one is CCC[C@@H]1c2ccccc2C(=O)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one?
The InChIKey is IFBOHQQORLKXEX-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-8-17-15-11-6-7-12-16(15)19(22)20(17)18(13-21)14-9-4-3-5-10-14/h3-7,9-12,17-18,21H,2,8,13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one?
(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one is sourced from PubChem (CID 11312471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).