(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one

C17H14ClNO2 — CID 2410620

IUPAC(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
SMILESCc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(C)c1O
InChIInChI=1S/C17H14ClNO2/c1-9-5-11(6-10(2)16(9)20)7-14-13-8-12(18)3-4-15(13)19-17(14)21/h3-8,20H,1-2H3,(H,19,21)/b14-7+
InChIKeyJOXYEVJUFWSVQH-VGOFMYFVSA-N
MW299.76 g/mol
LogP4.16
Rot. Bonds1

About (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one

(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one (PubChem CID 2410620) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
PubChem CID2410620
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
SMILESCc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(C)c1O
InChIInChI=1S/C17H14ClNO2/c1-9-5-11(6-10(2)16(9)20)7-14-13-8-12(18)3-4-15(13)19-17(14)21/h3-8,20H,1-2H3,(H,19,21)/b14-7+
InChIKeyJOXYEVJUFWSVQH-VGOFMYFVSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.16
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 (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)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

3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584
3-(4-Hydroxy-3,5-bis(methylthiomethyl)benzylidene)indolin-2-one
CID 10043899
5-Chloro-3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one
CID 25014542
3-(3,5-Dichloro-4-hydroxybenzylidene)-5-phenylindolin-2-one
CID 44312254
5-Chloro-3,3-bis(4-hydroxyphenyl)indolin-2-one
CID 44438725
7-chloro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 44438749
(3E)-5-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6213796
(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 118714386
(3E)-3-[(3-bromo-4-hydroxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 118714395
3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 3610132

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one (CID 2410620) is (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one is Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(C)c1O.
What is the InChIKey of (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is JOXYEVJUFWSVQH-VGOFMYFVSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-9-5-11(6-10(2)16(9)20)7-14-13-8-12(18)3-4-15(13)19-17(14)21/h3-8,20H,1-2H3,(H,19,21)/b14-7+.
What are the key properties of (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one?
(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 299.76 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2410620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).