(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one

C28H25NO4 — CID 35494067

IUPAC(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one
SMILESCCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21
InChIInChI=1S/C28H25NO4/c1-4-29-16-20(23-15-21(31-3)10-12-24(23)29)14-26-27(30)22-11-13-25(18(2)28(22)33-26)32-17-19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3/b26-14-
InChIKeyQNSBUEADBQLWEJ-WGARJPEWSA-N
MW439.51 g/mol
LogP6.17
Rot. Bonds6

About (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one

(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one (PubChem CID 35494067) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one
PubChem CID35494067
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one
SMILESCCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21
InChIInChI=1S/C28H25NO4/c1-4-29-16-20(23-15-21(31-3)10-12-24(23)29)14-26-27(30)22-11-13-25(18(2)28(22)33-26)32-17-19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3/b26-14-
InChIKeyQNSBUEADBQLWEJ-WGARJPEWSA-N
XLogP6.17
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one with MolForge

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Related Compounds

(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 35494201
(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 35494062
(2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35494133
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-[(2-methoxyphenyl)methoxy]-7-methyl-1-benzofuran-3-one
CID 35494026
(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 35494063
(2Z)-6-[(2-chlorophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35494048
[(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] oxolane-2-carboxylate
CID 110274853
(2Z)-6-[(2,5-dimethylphenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35493989
ethyl 2-[[(2Z)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 35494167
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 35494213
2-[[(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 35494269
(2Z)-7-(azepan-1-ylmethyl)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 35494331

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one (CID 35494067) is (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one is CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21.
What is the InChIKey of (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one?
The InChIKey is QNSBUEADBQLWEJ-WGARJPEWSA-N. The full InChI is InChI=1S/C28H25NO4/c1-4-29-16-20(23-15-21(31-3)10-12-24(23)29)14-26-27(30)22-11-13-25(18(2)28(22)33-26)32-17-19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3/b26-14-.
What are the key properties of (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one?
(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one has a molecular weight of 439.51 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one is sourced from PubChem (CID 35494067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).