2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one

C23H19NO2 — CID 788062

IUPAC2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccc(C)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO2/c1-15-7-11-17(12-8-15)24-22-19-5-3-4-6-20(19)23(25)21(22)16-9-13-18(26-2)14-10-16/h3-14,24H,1-2H3
InChIKeyQCKFZFRIXAUIJM-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.18
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one

2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one (PubChem CID 788062) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one
PubChem CID788062
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccc(C)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO2/c1-15-7-11-17(12-8-15)24-22-19-5-3-4-6-20(19)23(25)21(22)16-9-13-18(26-2)14-10-16/h3-14,24H,1-2H3
InChIKeyQCKFZFRIXAUIJM-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one (CID 788062) is 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one is COc1ccc(C2=C(Nc3ccc(C)cc3)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one?
The InChIKey is QCKFZFRIXAUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-7-11-17(12-8-15)24-22-19-5-3-4-6-20(19)23(25)21(22)16-9-13-18(26-2)14-10-16/h3-14,24H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one?
2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one has a molecular weight of 341.41 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylanilino)inden-1-one is sourced from PubChem (CID 788062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).