4,4'-Dimethylbenzhydrol

C₁₅H₁₆OCAS 885-77-8212.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆O
Molar mass: 212.29 g/mol
Exact mass: 212.1201 Da
logP: 3.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

885-77-8

SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O

InChIKey

RGYZQSCFKFDECZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3

Weigh it out

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

Work with 4,4'-Dimethylbenzhydrol

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

4-Methylbenzhydrol1517-63-182 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-558 % similar 1,1-Di-p-tolylethane530-45-052 % similar P-Cymene99-87-652 % similar P-Xylene106-42-350 % similar 4,4′-Bis(dimethylamino)benzhydrol119-58-450 % similar Bis(4-fluorophenyl)methanol365-24-250 % similar p,p'-Dimethoxybenzhydryl alcohol728-87-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

γ-Phenylbenzenepropanol20017-67-8 4-(4-N-Propylphenyl)phenol59748-39-9 4-Cumylphenol599-64-4

Elsewhere

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