chempirical

Erianin

C18H22O5CAS 95041-90-0318.37 g/mol

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OOOOHO
EtherPhenol

Properties

Molecular formula
C18H22O5
Molar mass
318.37 g/mol
Exact mass
318.1467 Da
logP
3.21Crippen estimate
Polar surface area
57.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
7

Identifiers

CAS number
95041-90-0
SMILES
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
InChIKey
UXDFUVFNIAJEGM-UHFFFAOYSA-N
InChI
InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3

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Names and synonyms

3 names
  • Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-
  • 2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
  • NSC 613744

Work with Erianin

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

Isovanillyl alcohol4383-06-663 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-062 % similar Combretastatin A-4117048-59-656 % similar Homovanillyl alcohol2380-78-155 % similar 4-Propylguaiacol2785-87-755 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-854 % similar Dihydroconiferyl alcohol2305-13-753 % similar 3,4,5-Trimethoxybenzyl alcohol3840-31-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Zearalenone17924-92-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook