Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene

C₂₁H₂₈OCAS 68610-51-5296.45 g/mol

Open in Covalent MOL file

Alkene Phenol

Properties

Molecular formula: C₂₁H₂₈O
Molar mass: 296.45 g/mol
Exact mass: 296.2140 Da
logP: 5.67Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation54% of notifiers
H319 Causes serious eye irritation54% of notifiers
H335 May cause respiratory irritation54% of notifiers
H361d Suspected of damaging the unborn child15.9% of notifiers
H413 May cause long lasting harmful effects to aquatic life35.4% of notifiers

Aggregated from 1,046 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68610-51-5

SMILES

C1=CC2C3C=CC(C3)C2C1.C=C(C)C.Cc1ccc(O)cc1

InChIKey

UQQYHXZNSYZMEN-UHFFFAOYSA-N

InChI

InChI=1S/C10H12.C7H8O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;2-5,8H,1H3;1H2,2-3H3

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Work with Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene

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

Dicyclopentadiene77-73-645 % similar P-Cresol106-44-536 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook