3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

C19H19NO4 — CID 936230

IUPAC3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCCOc1ccc(C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H19NO4/c1-4-24-13-7-5-12(6-8-13)9-15-14-10-17(22-2)18(23-3)11-16(14)20-19(15)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyJXVQWDSTSBYGAW-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.60
Rot. Bonds5

About 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (PubChem CID 936230) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
PubChem CID936230
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCCOc1ccc(C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H19NO4/c1-4-24-13-7-5-12(6-8-13)9-15-14-10-17(22-2)18(23-3)11-16(14)20-19(15)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyJXVQWDSTSBYGAW-UHFFFAOYSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603
[4-[(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl] adamantane-1-carboxylate
CID 72628437
(3E)-3-[[4-(2-aminocyclobutyl)phenyl]methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 143079171
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
[4-[(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl] 2-oxo-1H-pyridine-3-carboxylate
CID 91235927
(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21373991
(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 11529719
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione
CID 37346306
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3E)-3-[[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374178

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (CID 936230) is 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is CCOc1ccc(C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The InChIKey is JXVQWDSTSBYGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-24-13-7-5-12(6-8-13)9-15-14-10-17(22-2)18(23-3)11-16(14)20-19(15)21/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one has a molecular weight of 325.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is sourced from PubChem (CID 936230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).