(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one

C28H23NO3 — CID 126092569

IUPAC(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCOc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H23NO3/c1-31-26-8-5-9-27(20-26)32-25-16-14-24(15-17-25)29-19-18-28(30)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-20,29H,1H3/b19-18+
InChIKeyGLKURRKQILDJMZ-VHEBQXMUSA-N
MW421.50 g/mol
LogP6.96
Rot. Bonds8

About (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one

(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 126092569) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID126092569
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCOc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H23NO3/c1-31-26-8-5-9-27(20-26)32-25-16-14-24(15-17-25)29-19-18-28(30)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-20,29H,1H3/b19-18+
InChIKeyGLKURRKQILDJMZ-VHEBQXMUSA-N
XLogP6.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-3-[4-(3-methoxyphenoxy)anilino]prop-2-en-1-one
CID 6306090
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
(E)-1-(4-chlorophenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 39346442
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenoxy)anilino]prop-2-en-1-one
CID 171156907
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380
1-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 4693388
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
ethyl 4-[[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]amino]benzoate
CID 39388469
1-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one
CID 3762798
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one (CID 126092569) is (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one is COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is GLKURRKQILDJMZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C28H23NO3/c1-31-26-8-5-9-27(20-26)32-25-16-14-24(15-17-25)29-19-18-28(30)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-20,29H,1H3/b19-18+.
What are the key properties of (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one?
(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 421.50 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 126092569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).