(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one

C19H19NO2 — CID 52936698

IUPAC(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-20(2)17-9-3-15(4-10-17)5-11-18(21)12-6-16-7-13-19(22)14-8-16/h3-14,22H,1-2H3/b11-5+,12-6+
InChIKeyZTOBKJWWPUKMTE-YDWXAUTNSA-N
MW293.37 g/mol
LogP3.75
Rot. Bonds5

About (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 52936698) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID52936698
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-20(2)17-9-3-15(4-10-17)5-11-18(21)12-6-16-7-13-19(22)14-8-16/h3-14,22H,1-2H3/b11-5+,12-6+
InChIKeyZTOBKJWWPUKMTE-YDWXAUTNSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-(Methylamino)styryl)phenol
CID 10013901
4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
1-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,4-pentadien-3-one
CID 869055
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5468166
3-(3,4-Dihydroxy-phenyl)-1-(4-dimethylamino-phenyl)-propenone
CID 14977368
4-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-phenol
CID 21299300
(E)-1-(4-hydroxyphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 38864605
2-[Benzyl(butyl)amino]phenol
CID 52933283
4-[2-[4-(Methylamino)phenyl]ethynyl]phenol
CID 16659245
4-Hydroxy-cinnamanilide
CID 46907580

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one (CID 52936698) is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one is CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is ZTOBKJWWPUKMTE-YDWXAUTNSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20(2)17-9-3-15(4-10-17)5-11-18(21)12-6-16-7-13-19(22)14-8-16/h3-14,22H,1-2H3/b11-5+,12-6+.
What are the key properties of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 52936698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).