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

C15H9F2NO2 — CID 72710615

IUPAC(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H9F2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5+
InChIKeyOEOUHFLRZKKPNM-BJMVGYQFSA-N
MW273.24 g/mol
LogP3.16
Rot. Bonds1

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

(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 72710615) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID72710615
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H9F2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5+
InChIKeyOEOUHFLRZKKPNM-BJMVGYQFSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.16
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'}

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Related Compounds

Oxyphenisatin
CID 31315
GW-5074
CID 5924208
(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
CID 135406167
4-hydroxy-N-phenylbenzamide
CID 564716
GW305074X
CID 5034
(3e)-3-[(3,5-Dibromo-4-Hydroxyphenyl)methylidene]-5-Iodo-1,3-Dihydro-2h-Indol-2-One
CID 5353919
3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
6,7-difluoro-3-(4-hydroxyphenyl)-3-(4-methylphenyl)-1H-indol-2-one
CID 49782148
6-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2784139
(Z)-3-(3-hydroxybenzylidene)indolin-2-one
CID 2077962
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 72710615) is (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1cc(F)c(O)c(F)c1.
What is the InChIKey of (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is OEOUHFLRZKKPNM-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5+.
What are the key properties of (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 273.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 72710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).