3-(2,4-dimethoxyanilino)-2-phenylinden-1-one

C23H19NO3 — CID 22432990

IUPAC3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H19NO3/c1-26-16-12-13-19(20(14-16)27-2)24-22-17-10-6-7-11-18(17)23(25)21(22)15-8-4-3-5-9-15/h3-14,24H,1-2H3
InChIKeyUQINHENKOIFWEW-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds5

About 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one

3-(2,4-dimethoxyanilino)-2-phenylinden-1-one (PubChem CID 22432990) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
PubChem CID22432990
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H19NO3/c1-26-16-12-13-19(20(14-16)27-2)24-22-17-10-6-7-11-18(17)23(25)21(22)15-8-4-3-5-9-15/h3-14,24H,1-2H3
InChIKeyUQINHENKOIFWEW-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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Related Compounds

2-chloro-3-(2,4-dimethoxyanilino)naphthalene-1,4-dione
CID 129009526
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22432988
2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22433016
2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
CID 70694292
3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one
CID 44528649
methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102078584
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
3-(4-bromoanilino)-2-phenylinden-1-one
CID 5224479
sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate
CID 56842664
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
3-(2,5-dimethoxyanilino)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595679
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one?
The IUPAC name of 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one (CID 22432990) is 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one?
The canonical SMILES for 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one is COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one?
The InChIKey is UQINHENKOIFWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-16-12-13-19(20(14-16)27-2)24-22-17-10-6-7-11-18(17)23(25)21(22)15-8-4-3-5-9-15/h3-14,24H,1-2H3.
What are the key properties of 3-(2,4-dimethoxyanilino)-2-phenylinden-1-one?
3-(2,4-dimethoxyanilino)-2-phenylinden-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-(2,4-dimethoxyanilino)-2-phenylinden-1-one is sourced from PubChem (CID 22432990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).