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

C15H10BrNO2 — CID 703635

IUPAC(3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccc(O)cc1
InChIInChI=1S/C15H10BrNO2/c16-10-3-6-14-12(8-10)13(15(19)17-14)7-9-1-4-11(18)5-2-9/h1-8,18H,(H,17,19)/b13-7-
InChIKeyMGJIKOYBVLSOTM-QPEQYQDCSA-N
MW316.15 g/mol
LogP3.65
Rot. Bonds1

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

(3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 703635) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID703635
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name(3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccc(O)cc1
InChIInChI=1S/C15H10BrNO2/c16-10-3-6-14-12(8-10)13(15(19)17-14)7-9-1-4-11(18)5-2-9/h1-8,18H,(H,17,19)/b13-7-
InChIKeyMGJIKOYBVLSOTM-QPEQYQDCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 703635) is (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(O)cc1.
What is the InChIKey of (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is MGJIKOYBVLSOTM-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-10-3-6-14-12(8-10)13(15(19)17-14)7-9-1-4-11(18)5-2-9/h1-8,18H,(H,17,19)/b13-7-.
What are the key properties of (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-5-bromo-3-[(4-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 (3Z)-5-bromo-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 703635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).