2,4-Dihydroxy-5-tert-butylbenzophenone

C₁₇H₁₈O₃CAS 4211-67-0270.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₈O₃
Molar mass: 270.33 g/mol
Exact mass: 270.1256 Da
logP: 3.63Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
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 39 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

4211-67-0

SMILES

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

InChIKey

HSYUVRRTSSSDJI-UHFFFAOYSA-N

InChI

InChI=1S/C17H18O3/c1-17(2,3)13-9-12(14(18)10-15(13)19)16(20)11-7-5-4-6-8-11/h4-10,18-19H,1-3H3

Weigh it out

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

Work with 2,4-Dihydroxy-5-tert-butylbenzophenone

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

4,6-Dibenzoylresorcinol3088-15-169 % similar 2-Hydroxy-5-methylbenzophenone1470-57-155 % similar 2,4-Dihydroxybenzophenone131-56-654 % similar 2-Hydroxybenzophenone117-99-753 % similar 5-Bromo-2-hydroxybenzophenone55082-33-251 % similar Benzophenone 785-19-851 % similar Oxybenzone131-57-751 % similar 2,3,4-Trihydroxybenzophenone1143-72-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-2 Resveratrol trimethyl ether22255-22-7 4-(4-Phenylbutoxy)benzoic acid30131-16-9

Elsewhere

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