2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one

C25H23NO5 — CID 22433016

IUPAC2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
SMILESCOc1ccc(C2=C(Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)22-23(18-7-5-6-8-19(18)24(22)27)26-16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3
InChIKeyYCHSQUUDRZTZPB-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.90
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one

2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one (PubChem CID 22433016) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
PubChem CID22433016
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
SMILESCOc1ccc(C2=C(Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)22-23(18-7-5-6-8-19(18)24(22)27)26-16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3
InChIKeyYCHSQUUDRZTZPB-UHFFFAOYSA-N
XLogP4.90
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 44457010
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CID 53231776
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CID 374402
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one (CID 22433016) is 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one is COc1ccc(C2=C(Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one?
The InChIKey is YCHSQUUDRZTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)22-23(18-7-5-6-8-19(18)24(22)27)26-16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one?
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one has a molecular weight of 417.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one is sourced from PubChem (CID 22433016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).