(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one

C15H13NO2 — CID 848840

IUPAC(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3/t15-/m1/s1
InChIKeyMCPPHIBLBWYFKF-OAHLLOKOSA-N
MW239.27 g/mol
LogP1.97
Rot. Bonds1

About (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one

(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one (PubChem CID 848840) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
PubChem CID848840
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3/t15-/m1/s1
InChIKeyMCPPHIBLBWYFKF-OAHLLOKOSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3-hydroxy-3-phenylisoindol-1-one
CID 4086644
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
CID 124628887
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102
2-(3-bromopropyl)-3-hydroxy-3-phenylisoindol-1-one
CID 14592326
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
CID 56695228
3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
CID 4247568
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
CID 154163731
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
3-(aminomethyl)-3-(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 91105211

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one (CID 848840) is (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one is CN1C(=O)c2ccccc2[C@]1(O)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one?
The InChIKey is MCPPHIBLBWYFKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13NO2/c1-16-14(17)12-9-5-6-10-13(12)15(16,18)11-7-3-2-4-8-11/h2-10,18H,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one?
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one is sourced from PubChem (CID 848840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).