(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

C16H15NO2 — CID 6145899

IUPAC(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,17H2,1H3/b11-4+
InChIKeyQIFZZXZSSXRDOT-NYYWCZLTSA-N
MW253.30 g/mol
LogP3.17
Rot. Bonds4

About (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 6145899) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID6145899
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,17H2,1H3/b11-4+
InChIKeyQIFZZXZSSXRDOT-NYYWCZLTSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
4-Amino-4'-methoxystilbene
CID 5376491
4-Methoxy-4'-nitrobenzophenone
CID 347772
p-Tolyl 4-guanidinobenzoate
CID 44365677
phenyl N-(4-acetylphenyl)carbamate
CID 806009
2-Methoxy-5-acetylaniline
CID 233283
4-(4-Aminobenzoyl)phenol
CID 577825
N-(3-acetylphenyl)-4-methoxybenzamide
CID 773486
1-(4-(((4-Butoxyphenyl)methylene)amino)phenyl)ethanone
CID 533688
Bis(3-amino-4-methoxyphenyl)methanone
CID 755692
2-(4-Methoxyphenyl)-6-methyl-4(1h)-quinolinone
CID 9547805

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 6145899) is (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is QIFZZXZSSXRDOT-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,17H2,1H3/b11-4+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6145899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).