methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate

C26H22O5 — CID 6613335

IUPACmethyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(c1)C(=C(c1ccccc1)c1ccc(OC)cc1)C(=O)C2
InChIInChI=1S/C26H22O5/c1-29-19-11-9-17(10-12-19)24(16-7-5-4-6-8-16)25-21-13-18(26(28)31-3)14-23(30-2)20(21)15-22(25)27/h4-14H,15H2,1-3H3
InChIKeyQWCWRIAAWKDTOR-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.57
Rot. Bonds5

About methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate

methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate (PubChem CID 6613335) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate
PubChem CID6613335
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Namemethyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(c1)C(=C(c1ccccc1)c1ccc(OC)cc1)C(=O)C2
InChIInChI=1S/C26H22O5/c1-29-19-11-9-17(10-12-19)24(16-7-5-4-6-8-16)25-21-13-18(26(28)31-3)14-23(30-2)20(21)15-22(25)27/h4-14H,15H2,1-3H3
InChIKeyQWCWRIAAWKDTOR-UHFFFAOYSA-N
XLogP4.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate?
The IUPAC name of methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate (CID 6613335) is methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate is COC(=O)c1cc(OC)c2c(c1)C(=C(c1ccccc1)c1ccc(OC)cc1)C(=O)C2.
What is the InChIKey of methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate?
The InChIKey is QWCWRIAAWKDTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-29-19-11-9-17(10-12-19)24(16-7-5-4-6-8-16)25-21-13-18(26(28)31-3)14-23(30-2)20(21)15-22(25)27/h4-14H,15H2,1-3H3.
What are the key properties of methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate?
methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-[(4-methoxyphenyl)-phenylmethylidene]-2-oxo-1H-indene-5-carboxylate is sourced from PubChem (CID 6613335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).