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

C21H23NO3 — CID 666942

IUPAC3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1C(=O)CC1(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
InChIKeyZRRFSBBGPRHVNK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.56
Rot. Bonds4

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

3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one (PubChem CID 666942) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
PubChem CID666942
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(C)C)cc1C(=O)CC1(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
InChIKeyZRRFSBBGPRHVNK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one (CID 666942) is 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one is Cc1ccc(C(C)C)cc1C(=O)CC1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is ZRRFSBBGPRHVNK-UHFFFAOYSA-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.
What are the key properties of 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one?
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 3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 666942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).