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

C24H21NO4 — CID 22432988

IUPAC2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-19-13-16(14-20(28-2)24(19)29-3)25-22-17-11-7-8-12-18(17)23(26)21(22)15-9-5-4-6-10-15/h4-14,25H,1-3H3
InChIKeyIEBGUUQVHUHQKW-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.89
Rot. Bonds6

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

2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one (PubChem CID 22432988) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one.

Molecular Properties

Compound Name2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
PubChem CID22432988
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-19-13-16(14-20(28-2)24(19)29-3)25-22-17-11-7-8-12-18(17)23(26)21(22)15-9-5-4-6-10-15/h4-14,25H,1-3H3
InChIKeyIEBGUUQVHUHQKW-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22433016
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one
CID 44528649
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559954
3-(4-bromoanilino)-2-phenylinden-1-one
CID 5224479
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
1-(furan-2-ylmethyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559128
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
CID 70694292
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one?
The IUPAC name of 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one (CID 22432988) is 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one.
What is the SMILES notation for 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one?
The canonical SMILES for 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one is COc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one?
The InChIKey is IEBGUUQVHUHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-19-13-16(14-20(28-2)24(19)29-3)25-22-17-11-7-8-12-18(17)23(26)21(22)15-9-5-4-6-10-15/h4-14,25H,1-3H3.
What are the key properties of 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one?
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one has a molecular weight of 387.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one is sourced from PubChem (CID 22432988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).