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

C15H10BrNO2 — CID 4569324

IUPAC5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=Cc1cccc(O)c1
InChIInChI=1S/C15H10BrNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19)
InChIKeyNZUIGTVBIDBOQT-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.65
Rot. Bonds1

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

5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 4569324) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID4569324
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=Cc1cccc(O)c1
InChIInChI=1S/C15H10BrNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19)
InChIKeyNZUIGTVBIDBOQT-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
(3Z)-5-bromo-3-[(3-propylphenyl)methylidene]-1H-indol-2-one
CID 59079662
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
5-bromo-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 5079357
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one
CID 24950374
(3Z)-5-bromo-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 46504696
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
(3Z)-5-bromo-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1020391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 4569324) is 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1=Cc1cccc(O)c1.
What is the InChIKey of 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is NZUIGTVBIDBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19).
What are the key properties of 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 316.15 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 4569324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).