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

C15H8Br2ClNO2 — CID 25014542

IUPAC(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H8Br2ClNO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
InChIKeyMPIHOJMBMIMKAJ-KMKOMSMNSA-N
MW429.50 g/mol
LogP5.06
Rot. Bonds1

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

(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 25014542) has the molecular formula C15H8Br2ClNO2 and a molecular weight of 429.50 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID25014542
Molecular FormulaC15H8Br2ClNO2
Molecular Weight429.50 g/mol
Exact Mass426.86
IUPAC Name(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H8Br2ClNO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
InChIKeyMPIHOJMBMIMKAJ-KMKOMSMNSA-N
XLogP5.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.06
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-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 25014542) is (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is MPIHOJMBMIMKAJ-KMKOMSMNSA-N. The full InChI is InChI=1S/C15H8Br2ClNO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-.
What are the key properties of (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 429.50 g/mol, XLogP of 5.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 25014542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).