(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one

C21H23NO3 — CID 957730

IUPAC(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23NO3/c1-13(2)15-10-9-14(3)16(11-15)19(23)12-21(25)17-7-5-6-8-18(17)22(4)20(21)24/h5-11,13,25H,12H2,1-4H3/t21-/m1/s1
InChIKeyZRRFSBBGPRHVNK-OAQYLSRUSA-N
MW337.42 g/mol
LogP3.56
Rot. Bonds4

About (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one

(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one (PubChem CID 957730) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
PubChem CID957730
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23NO3/c1-13(2)15-10-9-14(3)16(11-15)19(23)12-21(25)17-7-5-6-8-18(17)22(4)20(21)24/h5-11,13,25H,12H2,1-4H3/t21-/m1/s1
InChIKeyZRRFSBBGPRHVNK-OAQYLSRUSA-N
XLogP3.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one with MolForge

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Related Compounds

(3S)-5-bromo-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 7281227
(3R)-1-butyl-3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 7334093
3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one
CID 17077532
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3152125
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5221445
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 3741581
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
(3S)-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 41145224

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one (CID 957730) is (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one is Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is ZRRFSBBGPRHVNK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13(2)15-10-9-14(3)16(11-15)19(23)12-21(25)17-7-5-6-8-18(17)22(4)20(21)24/h5-11,13,25H,12H2,1-4H3/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 957730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).