CAS 2051-07-2|CAS 37951-12-5|1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one|(1E,4E)-1,5-Bis(4-methoxyphenyl)penta-1,4-dien-3-one|1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one|1,5-Bis(4-methoxyphenyl)pe...

General Information

Structure

Molecular Formula

C₁₉H₁₈O₃

Molecular Mass

294.34442

Exact Mass

294.12559444

Charge

InChI

InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3

InChIKey

IOZVKDXPBWBUKY-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)OC

Isomeric Smiles

O=C(/C=C/c1ccc(cc1)OC)/C=C/c1ccc(cc1)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.5098014

LogD (pH = 7.4)

4.5098014

Log P

4.5098014

Molar Refractivity

89.9536

Polarizability

33.917076

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

Synonyms

(1E,4E)-1,5-Bis(4-methoxyphenyl)penta-1,4-dien-3-one1,5-Bis(4-methoxyphenyl)penta-1,4-dien-3-oneBis(4-methoxybenzylidene)acetoneBis(4-methoxybenzylidene)acetone双(4-甲氧亚苄基)丙酮Bis(p-anisylidene)acetoneNSC 4011961,5-Bis(p-methoxyphenyl)-1,4-pentadien-3-oneNSC 6772391,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one1,5-Bis-(4-methoxyphenyl)-3-pentadienone

IUPAC name

1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number