chempirical

2-(1-Methylethyl)-5-[(1E)-2-phenylethenyl]-1,3-benzenediol

C17H18O2CAS 79338-84-4254.33 g/mol

Open in Covalent MOL file
HOHO
AlkenePhenol

Properties

Molecular formula
C17H18O2
Molar mass
254.33 g/mol
Exact mass
254.1307 Da
logP
4.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
79338-84-4
SMILES
CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChIKey
ZISJNXNHJRQYJO-CMDGGOBGSA-N
InChI
InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Benzenediol, 2-(1-methylethyl)-5-[(1E)-2-phenylethenyl]-
  • 1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)-, (E)-
  • 3,5-Dihydroxy-4-isopropyl-trans-stilbene
  • WBI 1001
  • Tapinarof
  • (E)-2-Isopropyl-5-styrylbenzene-1,3-diol

Work with 2-(1-Methylethyl)-5-[(1E)-2-phenylethenyl]-1,3-benzenediol

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

Pinosylvin22139-77-148 % similar (E)-Stilbene103-30-043 % similar (Z)-Stilbene645-49-843 % similar trans-4-Hydroxystilbene6554-98-942 % similar 2-Isopropylphenol88-69-741 % similar trans-3,5-Dimethoxystilbene21956-56-941 % similar Hinokitiol499-44-538 % similar β-Methylstyrene637-50-338 % similar

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

Same formula

Benzyl isoeugenol120-11-6 9,9-Bis(methoxymethyl)fluorene182121-12-6 2,2'-(9H-Fluorene-9,9-diyl)diethanol203070-78-4 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-5 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-3 Benzoin isopropyl ether6652-28-4

Elsewhere

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