(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one

C15H9I2NO2 — CID 69304942

IUPAC(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H9I2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5-
InChIKeyQQAINFWEWIDOBF-YHYXMXQVSA-N
MW489.05 g/mol
LogP4.09
Rot. Bonds1

About (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one (PubChem CID 69304942) has the molecular formula C15H9I2NO2 and a molecular weight of 489.05 g/mol. Its IUPAC name is (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
PubChem CID69304942
Molecular FormulaC15H9I2NO2
Molecular Weight489.05 g/mol
Exact Mass488.87
IUPAC Name(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H9I2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5-
InChIKeyQQAINFWEWIDOBF-YHYXMXQVSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.05
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
(3Z)-5-(2-chloroacetyl)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 87889964
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-5-(trifluoromethoxy)-1H-indol-2-one
CID 69305785
(3Z)-3-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 126118994
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57236339
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one (CID 69304942) is (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cc(I)c(O)c(I)c1.
What is the InChIKey of (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one?
The InChIKey is QQAINFWEWIDOBF-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H9I2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5-.
What are the key properties of (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one has a molecular weight of 489.05 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 69304942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).