3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one

C21H23NO3 — CID 18888423

IUPAC3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)ccc(C)c21
InChIInChI=1S/C21H23NO3/c1-13-5-9-17(10-6-13)12-22-19-15(3)8-7-14(2)18(19)21(25,20(22)24)11-16(4)23/h5-10,25H,11-12H2,1-4H3
InChIKeyVCYSHZCYCODFCK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds4

About 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one

3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 18888423) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
PubChem CID18888423
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)ccc(C)c21
InChIInChI=1S/C21H23NO3/c1-13-5-9-17(10-6-13)12-22-19-15(3)8-7-14(2)18(19)21(25,20(22)24)11-16(4)23/h5-10,25H,11-12H2,1-4H3
InChIKeyVCYSHZCYCODFCK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one (CID 18888423) is 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)ccc(C)c21.
What is the InChIKey of 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is VCYSHZCYCODFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13-5-9-17(10-6-13)12-22-19-15(3)8-7-14(2)18(19)21(25,20(22)24)11-16(4)23/h5-10,25H,11-12H2,1-4H3.
What are the key properties of 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one?
3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).