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

C15H9Br2NO2 — CID 1228884

IUPAC(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H9Br2NO2/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-
InChIKeyBBVGRROSWSHBNU-YHYXMXQVSA-N
MW395.05 g/mol
LogP4.41
Rot. Bonds1

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

(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 1228884) has the molecular formula C15H9Br2NO2 and a molecular weight of 395.05 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID1228884
Molecular FormulaC15H9Br2NO2
Molecular Weight395.05 g/mol
Exact Mass392.90
IUPAC Name(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H9Br2NO2/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-
InChIKeyBBVGRROSWSHBNU-YHYXMXQVSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.41
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 1228884) is (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is BBVGRROSWSHBNU-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H9Br2NO2/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-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 395.05 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 1228884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).