(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one

C18H16FNO3 — CID 11529719

IUPAC(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1cc(F)ccc1OC
InChIInChI=1S/C18H16FNO3/c1-3-23-13-5-6-14-15(18(21)20-16(14)10-13)9-11-8-12(19)4-7-17(11)22-2/h4-10H,3H2,1-2H3,(H,20,21)/b15-9+
InChIKeyWZKMDYKVYFSQMI-OQLLNIDSSA-N
MW313.33 g/mol
LogP3.73
Rot. Bonds4

About (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one

(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 11529719) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID11529719
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1cc(F)ccc1OC
InChIInChI=1S/C18H16FNO3/c1-3-23-13-5-6-14-15(18(21)20-16(14)10-13)9-11-8-12(19)4-7-17(11)22-2/h4-10H,3H2,1-2H3,(H,20,21)/b15-9+
InChIKeyWZKMDYKVYFSQMI-OQLLNIDSSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.73
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

(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
CID 58662775
2-[4-ethoxy-3-[(6-methoxycarbonyl-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetic acid
CID 73002091
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
(3E)-3-[(2,2-difluoro-1,3-benzodioxol-4-yl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11602645
6-fluoro-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66985431
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5,7-difluoro-1H-indol-2-one
CID 69451836

Frequently Asked Questions

What is the IUPAC name of (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one (CID 11529719) is (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one is CCOc1ccc2c(c1)NC(=O)/C2=C/c1cc(F)ccc1OC.
What is the InChIKey of (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is WZKMDYKVYFSQMI-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-3-23-13-5-6-14-15(18(21)20-16(14)10-13)9-11-8-12(19)4-7-17(11)22-2/h4-10H,3H2,1-2H3,(H,20,21)/b15-9+.
What are the key properties of (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 11529719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).