(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one

C20H21NO3 — CID 796109

IUPAC(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H21NO3/c1-12(2)14-7-9-15(10-8-14)17(22)11-20(24)16-6-4-5-13(3)18(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyUWRUDVSQIXGNAN-HXUWFJFHSA-N
MW323.39 g/mol
LogP3.53
Rot. Bonds4

About (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one

(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one (PubChem CID 796109) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
PubChem CID796109
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H21NO3/c1-12(2)14-7-9-15(10-8-14)17(22)11-20(24)16-6-4-5-13(3)18(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyUWRUDVSQIXGNAN-HXUWFJFHSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one (CID 796109) is (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one is Cc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is UWRUDVSQIXGNAN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12(2)14-7-9-15(10-8-14)17(22)11-20(24)16-6-4-5-13(3)18(16)21-19(20)23/h4-10,12,24H,11H2,1-3H3,(H,21,23)/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one?
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 796109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).