1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one

C16H15NO2 — CID 154349590

IUPAC1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one
SMILESCOC(=Cc1ccccc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15NO2/c1-19-15(11-12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11H,17H2,1H3
InChIKeySDQFLYJAEZDZAE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one

1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one (PubChem CID 154349590) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one
PubChem CID154349590
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one
SMILESCOC(=Cc1ccccc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15NO2/c1-19-15(11-12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11H,17H2,1H3
InChIKeySDQFLYJAEZDZAE-UHFFFAOYSA-N
XLogP3.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one (CID 154349590) is 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one is COC(=Cc1ccccc1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The InChIKey is SDQFLYJAEZDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15(11-12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11H,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one?
1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one is sourced from PubChem (CID 154349590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).