(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H8Cl3NO2 — CID 72710618

IUPAC(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H8Cl3NO2/c16-8-1-2-9-10(15(21)19-13(9)6-8)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+
InChIKeyIOWSRTVHVZCDTG-XCVCLJGOSA-N
MW340.59 g/mol
LogP4.85
Rot. Bonds1

About (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one

(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 72710618) has the molecular formula C15H8Cl3NO2 and a molecular weight of 340.59 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID72710618
Molecular FormulaC15H8Cl3NO2
Molecular Weight340.59 g/mol
Exact Mass338.96
IUPAC Name(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H8Cl3NO2/c16-8-1-2-9-10(15(21)19-13(9)6-8)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+
InChIKeyIOWSRTVHVZCDTG-XCVCLJGOSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.59
LogP ≤ 54.85
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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Related Compounds

(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3E)-6-chloro-3-[(7-chloro-1,3-benzodioxol-5-yl)methylidene]-1H-indol-2-one
CID 9185747
(3Z)-5-(2-chloroacetyl)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 87889831
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 72710618) is (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C\c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is IOWSRTVHVZCDTG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H8Cl3NO2/c16-8-1-2-9-10(15(21)19-13(9)6-8)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+.
What are the key properties of (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 340.59 g/mol, XLogP of 4.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 72710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).