(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H11NO3 — CID 11989152

IUPAC(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(O)ccc2/C1=C\c1ccc(O)cc1
InChIInChI=1S/C15H11NO3/c17-10-3-1-9(2-4-10)7-13-12-6-5-11(18)8-14(12)16-15(13)19/h1-8,17-18H,(H,16,19)/b13-7+
InChIKeyKXXHVCKGFIIBLO-NTUHNPAUSA-N
MW253.26 g/mol
LogP2.59
Rot. Bonds1

About (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one

(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 11989152) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID11989152
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(O)ccc2/C1=C\c1ccc(O)cc1
InChIInChI=1S/C15H11NO3/c17-10-3-1-9(2-4-10)7-13-12-6-5-11(18)8-14(12)16-15(13)19/h1-8,17-18H,(H,16,19)/b13-7+
InChIKeyKXXHVCKGFIIBLO-NTUHNPAUSA-N
XLogP2.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 11989152) is (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2cc(O)ccc2/C1=C\c1ccc(O)cc1.
What is the InChIKey of (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is KXXHVCKGFIIBLO-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H11NO3/c17-10-3-1-9(2-4-10)7-13-12-6-5-11(18)8-14(12)16-15(13)19/h1-8,17-18H,(H,16,19)/b13-7+.
What are the key properties of (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 11989152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).