1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one

C16H14INO — CID 134858041

IUPAC1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
SMILESCc1cc(I)cc(C)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C16H14INO/c1-10-7-13(17)8-11(2)16(10)18-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3
InChIKeyZULHUVWCTOBBAQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.13
Rot. Bonds1

About 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one

1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one (PubChem CID 134858041) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
PubChem CID134858041
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC Name1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
SMILESCc1cc(I)cc(C)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C16H14INO/c1-10-7-13(17)8-11(2)16(10)18-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3
InChIKeyZULHUVWCTOBBAQ-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
5-iodo-1-phenyl-3H-indol-2-one
CID 139061934
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one
CID 102003511
2-(4-amino-2-methylphenyl)-4H-isoquinoline-1,3-dione
CID 43123740
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
3-(2-oxo-3H-indol-1-yl)pyrrole-2,5-dione
CID 57208656
1-quinolin-2-yl-3H-indol-2-one
CID 174510331
3-(1,3-dioxo-4H-isoquinolin-2-yl)-4-methylbenzonitrile
CID 62105268

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one?
The IUPAC name of 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one (CID 134858041) is 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one.
What is the SMILES notation for 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one?
The canonical SMILES for 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one is Cc1cc(I)cc(C)c1N1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one?
The InChIKey is ZULHUVWCTOBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c1-10-7-13(17)8-11(2)16(10)18-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one?
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one has a molecular weight of 363.20 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one is sourced from PubChem (CID 134858041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).