(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one

C21H17NO2 — CID 102494819

IUPAC(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
SMILESCOc1ccc([C@@]2(c3ccccc3)NC(=O)c3ccccc32)cc1
InChIInChI=1S/C21H17NO2/c1-24-17-13-11-16(12-14-17)21(15-7-3-2-4-8-15)19-10-6-5-9-18(19)20(23)22-21/h2-14H,1H3,(H,22,23)/t21-/m1/s1
InChIKeyAOJJYWRCVOCLBL-OAQYLSRUSA-N
MW315.37 g/mol
LogP3.73
Rot. Bonds3

About (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one

(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one (PubChem CID 102494819) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
PubChem CID102494819
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
SMILESCOc1ccc([C@@]2(c3ccccc3)NC(=O)c3ccccc32)cc1
InChIInChI=1S/C21H17NO2/c1-24-17-13-11-16(12-14-17)21(15-7-3-2-4-8-15)19-10-6-5-9-18(19)20(23)22-21/h2-14H,1H3,(H,22,23)/t21-/m1/s1
InChIKeyAOJJYWRCVOCLBL-OAQYLSRUSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
CID 132502408
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
(1S,2S,3R,3aR,8bS)-1,8b-dihydroxy-3-(4-methoxyphenyl)-1,2-diphenyl-3,3a-dihydro-2H-cyclopenta[a]inden-4-one
CID 93012418
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2H-isoindol-1-one
CID 70289948
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
CID 5222390
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
(3R)-2'-iodo-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 139095295
7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
CID 72947320
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one (CID 102494819) is (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one is COc1ccc([C@@]2(c3ccccc3)NC(=O)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one?
The InChIKey is AOJJYWRCVOCLBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-17-13-11-16(12-14-17)21(15-7-3-2-4-8-15)19-10-6-5-9-18(19)20(23)22-21/h2-14H,1H3,(H,22,23)/t21-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one?
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one has a molecular weight of 315.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one is sourced from PubChem (CID 102494819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).