3-benzyl-3-hydroxy-1,5-dimethylindol-2-one

C17H17NO2 — CID 10912492

IUPAC3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)C(O)(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C17H17NO2/c1-12-8-9-15-14(10-12)17(20,16(19)18(15)2)11-13-6-4-3-5-7-13/h3-10,20H,11H2,1-2H3
InChIKeyYXRDYDZBNPJKQC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.40
Rot. Bonds2

About 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one

3-benzyl-3-hydroxy-1,5-dimethylindol-2-one (PubChem CID 10912492) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one.

Molecular Properties

Compound Name3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
PubChem CID10912492
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)C(O)(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C17H17NO2/c1-12-8-9-15-14(10-12)17(20,16(19)18(15)2)11-13-6-4-3-5-7-13/h3-10,20H,11H2,1-2H3
InChIKeyYXRDYDZBNPJKQC-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
CID 142721308
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
CID 122403973
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 5308874
(3R)-3-benzyl-2-imino-1-methylindol-3-ol
CID 163153635
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
CID 138984006
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
CID 143313949

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one?
The IUPAC name of 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one (CID 10912492) is 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one.
What is the SMILES notation for 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one?
The canonical SMILES for 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one is Cc1ccc2c(c1)C(O)(Cc1ccccc1)C(=O)N2C.
What is the InChIKey of 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one?
The InChIKey is YXRDYDZBNPJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-8-9-15-14(10-12)17(20,16(19)18(15)2)11-13-6-4-3-5-7-13/h3-10,20H,11H2,1-2H3.
What are the key properties of 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one?
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-hydroxy-1,5-dimethylindol-2-one is sourced from PubChem (CID 10912492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).