(1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3CAS 39777-61-2294.35 g/mol

Open in Covalent MOL file
OOO
AlkeneEtherKetone

Properties

Molecular formula
C19H18O3
Molar mass
294.35 g/mol
Exact mass
294.1256 Da
logP
4.00Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6
Double bonds
E, EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39777-61-2
SMILES
COC1=CC=CC=C1/C=C/C(=O)/C=C/C2=CC=CC=C2OC
InChIKey
RCZMPCUUTSDNAJ-PHEQNACWSA-N
InChI
InChI=1S/C19H18O3/c1-21-18-9-5-3-7-15(18)11-13-17(20)14-12-16-8-4-6-10-19(16)22-2/h3-14H,1-2H3/b13-11+,14-12+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-2-Methoxycinnamic acid1011-54-769 % similar 2-Methoxycinnamic acid6099-03-269 % similar 2-Methoxycinnamaldehyde1504-74-157 % similar 2-Methoxybenzaldehyde135-02-455 % similar 4,4′-Bis[2-(2-methoxyphenyl)ethenyl]-1,1′-biphenyl40470-68-653 % similar 2-Methoxy-β-nitrostyrene3316-24-351 % similar 2',3'-Dimethoxycinnamic acid7345-82-651 % similar 3-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-0 Tanshinone IIA568-72-9

Elsewhere

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