(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one

C19H19NO2S2 — CID 10043899

IUPAC(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one
SMILESCSCc1cc(/C=C2\C(=O)Nc3ccccc32)cc(CSC)c1O
InChIInChI=1S/C19H19NO2S2/c1-23-10-13-7-12(8-14(11-24-2)18(13)21)9-16-15-5-3-4-6-17(15)20-19(16)22/h3-9,21H,10-11H2,1-2H3,(H,20,22)/b16-9-
InChIKeyHXAVERUVVZQIGE-SXGWCWSVSA-N
MW357.50 g/mol
LogP4.61
Rot. Bonds5

About (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one

(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 10043899) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one
PubChem CID10043899
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one
SMILESCSCc1cc(/C=C2\C(=O)Nc3ccccc32)cc(CSC)c1O
InChIInChI=1S/C19H19NO2S2/c1-23-10-13-7-12(8-14(11-24-2)18(13)21)9-16-15-5-3-4-6-17(15)20-19(16)22/h3-9,21H,10-11H2,1-2H3,(H,20,22)/b16-9-
InChIKeyHXAVERUVVZQIGE-SXGWCWSVSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
CID 162076
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
3,3-bis(4-hydroxyphenyl)-5-methyl-1H-indol-2-one
CID 12218508
(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 2410620
(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57391989
(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57395315
(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710615
3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 3610132
(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 6510285
3-(3,5-Di-tert-butyl-4-hydroxybenzylidene)indolin-2-one
CID 9884745

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one (CID 10043899) is (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one is CSCc1cc(/C=C2\C(=O)Nc3ccccc32)cc(CSC)c1O.
What is the InChIKey of (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is HXAVERUVVZQIGE-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-23-10-13-7-12(8-14(11-24-2)18(13)21)9-16-15-5-3-4-6-17(15)20-19(16)22/h3-9,21H,10-11H2,1-2H3,(H,20,22)/b16-9-.
What are the key properties of (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 357.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-hydroxy-3,5-bis(methylsulfanylmethyl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 10043899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).