3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one

C15H10INO2 — CID 57069797

IUPAC3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccccc1O
InChIInChI=1S/C15H10INO2/c16-10-5-6-13-11(8-10)12(15(19)17-13)7-9-3-1-2-4-14(9)18/h1-8,18H,(H,17,19)
InChIKeyIQFPHKXNIUKPML-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.49
Rot. Bonds1

About 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one

3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one (PubChem CID 57069797) has the molecular formula C15H10INO2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
PubChem CID57069797
Molecular FormulaC15H10INO2
Molecular Weight363.15 g/mol
Exact Mass362.98
IUPAC Name3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccccc1O
InChIInChI=1S/C15H10INO2/c16-10-5-6-13-11(8-10)12(15(19)17-13)7-9-3-1-2-4-14(9)18/h1-8,18H,(H,17,19)
InChIKeyIQFPHKXNIUKPML-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one (CID 57069797) is 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=Cc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The InChIKey is IQFPHKXNIUKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO2/c16-10-5-6-13-11(8-10)12(15(19)17-13)7-9-3-1-2-4-14(9)18/h1-8,18H,(H,17,19).
What are the key properties of 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one has a molecular weight of 363.15 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one is sourced from PubChem (CID 57069797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).