3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one

C21H23NO3 — CID 3838372

IUPAC3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1c(C)c(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c(C)c1C
InChIInChI=1S/C21H23NO3/c1-11-12(2)14(4)19(15(5)13(11)3)18(23)10-21(25)16-8-6-7-9-17(16)22-20(21)24/h6-9,25H,10H2,1-5H3,(H,22,24)
InChIKeySALYLBFMGNFXJS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.64
Rot. Bonds3

About 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one

3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one (PubChem CID 3838372) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
PubChem CID3838372
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1c(C)c(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c(C)c1C
InChIInChI=1S/C21H23NO3/c1-11-12(2)14(4)19(15(5)13(11)3)18(23)10-21(25)16-8-6-7-9-17(16)22-20(21)24/h6-9,25H,10H2,1-5H3,(H,22,24)
InChIKeySALYLBFMGNFXJS-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
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(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3152125
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973
(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 7012905
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one (CID 3838372) is 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one is Cc1c(C)c(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c(C)c1C.
What is the InChIKey of 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is SALYLBFMGNFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-11-12(2)14(4)19(15(5)13(11)3)18(23)10-21(25)16-8-6-7-9-17(16)22-20(21)24/h6-9,25H,10H2,1-5H3,(H,22,24).
What are the key properties of 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one?
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 3838372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).