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

C24H23NO2 — CID 11325779

IUPAC(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)CCc1ccccc1
InChIInChI=1S/C24H23NO2/c1-18(20-12-6-3-7-13-20)25-23(26)21-14-8-9-15-22(21)24(25,27)17-16-19-10-4-2-5-11-19/h2-15,18,27H,16-17H2,1H3/t18-,24+/m0/s1
InChIKeyAJLGEQSHKUFAEM-MHECFPHRSA-N
MW357.45 g/mol
LogP4.68
Rot. Bonds5

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

(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one (PubChem CID 11325779) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one
PubChem CID11325779
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)CCc1ccccc1
InChIInChI=1S/C24H23NO2/c1-18(20-12-6-3-7-13-20)25-23(26)21-14-8-9-15-22(21)24(25,27)17-16-19-10-4-2-5-11-19/h2-15,18,27H,16-17H2,1H3/t18-,24+/m0/s1
InChIKeyAJLGEQSHKUFAEM-MHECFPHRSA-N
XLogP4.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-2-methylisoindol-1-one
CID 102482299
(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
CID 10665782
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-hydroxyisoindol-1-one
CID 58433814
(3S)-3-benzyl-2-[(3R)-heptan-3-yl]-3-hydroxyisoindol-1-one
CID 94844196
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
(3S,5'E)-5'-(iodomethylidene)-2-[(1S)-1-phenylethyl]spiro[isoindole-3,3'-oxolane]-1,2'-dione
CID 102406367
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
CID 134463057
3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one
CID 86053529
(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
CID 139196663
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 8928431
(3S)-3-benzyl-3-hydroxy-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 723286

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one (CID 11325779) is (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one is C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)CCc1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one?
The InChIKey is AJLGEQSHKUFAEM-MHECFPHRSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18(20-12-6-3-7-13-20)25-23(26)21-14-8-9-15-22(21)24(25,27)17-16-19-10-4-2-5-11-19/h2-15,18,27H,16-17H2,1H3/t18-,24+/m0/s1.
What are the key properties of (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one?
(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one has a molecular weight of 357.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3-(2-phenylethyl)isoindol-1-one is sourced from PubChem (CID 11325779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).