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

C15H10INO3 — CID 57236339

IUPAC3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1cc(O)cc(O)c1
InChIInChI=1S/C15H10INO3/c16-9-1-2-14-12(6-9)13(15(20)17-14)5-8-3-10(18)7-11(19)4-8/h1-7,18-19H,(H,17,20)
InChIKeyVKBULAWIUZHLIW-UHFFFAOYSA-N
MW379.15 g/mol
LogP3.20
Rot. Bonds1

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

3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one (PubChem CID 57236339) has the molecular formula C15H10INO3 and a molecular weight of 379.15 g/mol. Its IUPAC name is 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
PubChem CID57236339
Molecular FormulaC15H10INO3
Molecular Weight379.15 g/mol
Exact Mass378.97
IUPAC Name3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1cc(O)cc(O)c1
InChIInChI=1S/C15H10INO3/c16-9-1-2-14-12(6-9)13(15(20)17-14)5-8-3-10(18)7-11(19)4-8/h1-7,18-19H,(H,17,20)
InChIKeyVKBULAWIUZHLIW-UHFFFAOYSA-N
XLogP3.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4-bromo-3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 4115418
5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
CID 57139698
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
5-iodo-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
CID 57038442
3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57069797
3-[(3,5-ditert-butyl-4-methoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57103720
5-iodo-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 57066860
[2,6-dibromo-4-[(5-iodo-2-oxo-1H-indol-3-ylidene)methyl]phenyl] ethaneperoxoate
CID 175429105
3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
methyl 2-(5-iodo-2-oxo-1H-indol-3-ylidene)acetate
CID 6710360
3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57053949
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The IUPAC name of 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one (CID 57236339) is 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=Cc1cc(O)cc(O)c1.
What is the InChIKey of 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
The InChIKey is VKBULAWIUZHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO3/c16-9-1-2-14-12(6-9)13(15(20)17-14)5-8-3-10(18)7-11(19)4-8/h1-7,18-19H,(H,17,20).
What are the key properties of 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one?
3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one has a molecular weight of 379.15 g/mol, XLogP of 3.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one is sourced from PubChem (CID 57236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).