(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one

C19H15NO3 — CID 2196832

IUPAC(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H15NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-14,20H/b13-12+
InChIKeyFRLDJSWCDKJBTJ-OUKQBFOZSA-N
MW305.33 g/mol
LogP4.88
Rot. Bonds6

About (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one

(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one (PubChem CID 2196832) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one
PubChem CID2196832
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H15NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-14,20H/b13-12+
InChIKeyFRLDJSWCDKJBTJ-OUKQBFOZSA-N
XLogP4.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.88
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

CID 705702
CID 705702
CID 855038
CID 855038
CID 681024
CID 681024
CID 1980018
CID 1980018
CID 1982325
CID 1982325
CID 2192905
CID 2192905
CID 2193237
CID 2193237
CID 2195987
CID 2195987
CID 2196129
CID 2196129
CID 2196263
CID 2196263
CID 2196420
CID 2196420
CID 2196922
CID 2196922

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one (CID 2196832) is (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one is O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one?
The InChIKey is FRLDJSWCDKJBTJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-14,20H/b13-12+.
What are the key properties of (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one has a molecular weight of 305.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-(4-phenoxyanilino)prop-2-en-1-one is sourced from PubChem (CID 2196832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).