3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one

C18H19NO2 — CID 155513113

IUPAC3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C18H19NO2/c1-18(2)15-12-14(8-9-16(15)19-17(18)20)21-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyACUHWZASTCSIET-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.54
Rot. Bonds4

About 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one

3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one (PubChem CID 155513113) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one
PubChem CID155513113
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C18H19NO2/c1-18(2)15-12-14(8-9-16(15)19-17(18)20)21-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyACUHWZASTCSIET-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxyphenisatin Acetate
CID 8269
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
5-Benzyloxyisatin
CID 16792980
2-(5-Methoxy-2-oxo-1-phenethyl-1,2-dihydro-indol-3-ylidene)-malononitrile
CID 4020724
3-Hydroxy-3-(3-methoxyphenyl)indolin-2-one
CID 5297648
N-(4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 838959
N-[4-(2,3-Dihydro-benzofuran-4-ylmethyl)-phenyl]-butyramide
CID 44264904
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
CID 977863
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3159328
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727459
5-(3-Methoxy-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860141
6-methoxy-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10938620

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one (CID 155513113) is 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(OCCc3ccccc3)cc21.
What is the InChIKey of 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one?
The InChIKey is ACUHWZASTCSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)15-12-14(8-9-16(15)19-17(18)20)21-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one?
3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one has a molecular weight of 281.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-phenylethoxy)-1H-indol-2-one is sourced from PubChem (CID 155513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).