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

C23H19NO3 — CID 1163200

IUPAC3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21-22(19-5-3-4-6-20(19)23(21)25)24-16-9-13-18(27-2)14-10-16/h3-14,24H,1-2H3
InChIKeyJCMHEKHJVCUONC-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds5

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

3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one (PubChem CID 1163200) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one
PubChem CID1163200
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21-22(19-5-3-4-6-20(19)23(21)25)24-16-9-13-18(27-2)14-10-16/h3-14,24H,1-2H3
InChIKeyJCMHEKHJVCUONC-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one?
The IUPAC name of 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one (CID 1163200) is 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one is COc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one?
The InChIKey is JCMHEKHJVCUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21-22(19-5-3-4-6-20(19)23(21)25)24-16-9-13-18(27-2)14-10-16/h3-14,24H,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one?
3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one has a molecular weight of 357.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-2-(4-methoxyphenyl)inden-1-one is sourced from PubChem (CID 1163200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).