(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H11NO2 — CID 2077962

IUPAC(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cccc(O)c1
InChIInChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-
InChIKeyVHVCSZNJCUZDOG-LCYFTJDESA-N
MW237.26 g/mol
LogP2.88
Rot. Bonds1

About (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 2077962) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID2077962
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cccc(O)c1
InChIInChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-
InChIKeyVHVCSZNJCUZDOG-LCYFTJDESA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.88
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
Salicylanilide
CID 6872
2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
CID 162076
5-Hydroxyoxindole
CID 76955
Benzamide, N-(3-hydroxyphenyl)-
CID 836140
1,2-Benzisoselenazol-3(2H)-one, 2-(2-hydroxyphenyl)-
CID 3067580
(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
CID 135406167
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
4-hydroxy-N-phenylbenzamide
CID 564716
3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
5-Hydroxy-2-phenylisoindoline-1,3-dione
CID 10823890

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 2077962) is (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cccc(O)c1.
What is the InChIKey of (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is VHVCSZNJCUZDOG-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-.
What are the key properties of (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2077962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).