(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one

C21H17NO2 — CID 7000102

IUPAC(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1
InChIInChI=1S/C21H17NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-14,24H,1H3/t21-/m1/s1
InChIKeyRSLLZVWKCCWWFC-OAQYLSRUSA-N
MW315.37 g/mol
LogP3.85
Rot. Bonds2

About (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one

(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one (PubChem CID 7000102) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
PubChem CID7000102
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1
InChIInChI=1S/C21H17NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-14,24H,1H3/t21-/m1/s1
InChIKeyRSLLZVWKCCWWFC-OAQYLSRUSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
CID 4247568
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781985
(3S)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781988
3,5-dihydroxy-1-(4-methylphenyl)-5-phenylpyrrol-2-one
CID 3956840
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
3-hydroxy-3-(4-methylphenyl)-2-prop-2-enylisoindol-1-one
CID 2841309
4-[1-(4-cyanophenyl)-2-(4-methylphenyl)-3-oxoisoindol-1-yl]benzonitrile
CID 175909172
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
CID 124628887
1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol
CID 165351063
3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
CID 71327705

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one (CID 7000102) is (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one?
The InChIKey is RSLLZVWKCCWWFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-14,24H,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one?
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one has a molecular weight of 315.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one is sourced from PubChem (CID 7000102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).