(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

C23H19NO3 — CID 2357044

IUPAC(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-26-22-14-17(11-12-21(22)27-15-16-7-3-2-4-8-16)13-19-18-9-5-6-10-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-13+
InChIKeyJUMOAKISAVETQS-CPNJWEJPSA-N
MW357.41 g/mol
LogP4.77
Rot. Bonds5

About (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 2357044) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID2357044
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-26-22-14-17(11-12-21(22)27-15-16-7-3-2-4-8-16)13-19-18-9-5-6-10-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-13+
InChIKeyJUMOAKISAVETQS-CPNJWEJPSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-5-bromo-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1020391
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione
CID 37346306
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 1304469
(3Z)-3-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 6270186
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3590203
(3E)-6-chloro-3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
CID 21370046
(3Z)-3-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126112314
3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one (CID 2357044) is (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccccc1.
What is the InChIKey of (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is JUMOAKISAVETQS-CPNJWEJPSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-22-14-17(11-12-21(22)27-15-16-7-3-2-4-8-16)13-19-18-9-5-6-10-20(18)24-23(19)25/h2-14H,15H2,1H3,(H,24,25)/b19-13+.
What are the key properties of (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2357044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).