2-hexyl-2-phenyl-1H-indol-3-one

C20H23NO — CID 132839339

IUPAC2-hexyl-2-phenyl-1H-indol-3-one
SMILESCCCCCCC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C20H23NO/c1-2-3-4-10-15-20(16-11-6-5-7-12-16)19(22)17-13-8-9-14-18(17)21-20/h5-9,11-14,21H,2-4,10,15H2,1H3
InChIKeyIHKVMLNXZBASHN-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.16
Rot. Bonds6

About 2-hexyl-2-phenyl-1H-indol-3-one

2-hexyl-2-phenyl-1H-indol-3-one (PubChem CID 132839339) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-hexyl-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-hexyl-2-phenyl-1H-indol-3-one
PubChem CID132839339
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-hexyl-2-phenyl-1H-indol-3-one
SMILESCCCCCCC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C20H23NO/c1-2-3-4-10-15-20(16-11-6-5-7-12-16)19(22)17-13-8-9-14-18(17)21-20/h5-9,11-14,21H,2-4,10,15H2,1H3
InChIKeyIHKVMLNXZBASHN-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
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CID 10403960
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
2-(nonylamino)-2-phenyl-1H-quinoline-4-carboxylic acid
CID 69320285
5-methyl-2-phenacyl-2-phenyl-1H-indol-3-one
CID 154722464
(6S)-6-hexyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282083

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-hexyl-2-phenyl-1H-indol-3-one (CID 132839339) is 2-hexyl-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-hexyl-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-hexyl-2-phenyl-1H-indol-3-one is CCCCCCC1(c2ccccc2)Nc2ccccc2C1=O.
What is the InChIKey of 2-hexyl-2-phenyl-1H-indol-3-one?
The InChIKey is IHKVMLNXZBASHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-4-10-15-20(16-11-6-5-7-12-16)19(22)17-13-8-9-14-18(17)21-20/h5-9,11-14,21H,2-4,10,15H2,1H3.
What are the key properties of 2-hexyl-2-phenyl-1H-indol-3-one?
2-hexyl-2-phenyl-1H-indol-3-one has a molecular weight of 293.41 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 132839339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).