2,3,6,7,10,11-Hexahydroxytriphenylene

C₁₈H₁₂O₆CAS 4877-80-9324.29 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₈H₁₂O₆
Molar mass: 324.29 g/mol
Exact mass: 324.0634 Da
logP: 3.38Crippen estimate
Polar surface area: 121.4 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4877-80-9

SMILES

C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O

InChIKey

QMLILIIMKSKLES-UHFFFAOYSA-N

InChI

InChI=1S/C18H12O6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H

Weigh it out

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

Work with 2,3,6,7,10,11-Hexahydroxytriphenylene

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

2,3-Dihydroxynaphthalene92-44-444 % similar Hydroxyquinol533-73-342 % similar 1,4-Dihydroxy-2,5-diiodobenzene13064-64-739 % similar 2,5-Dibromohydroquinone14753-51-639 % similar 1,4-Naphthalenediol571-60-839 % similar 2,5-Dimethylhydroquinone615-90-739 % similar 2,5-Dichlorohydroquinone824-69-139 % similar 1,5-Dihydroxynaphthalene83-56-739 % similar

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

Elsewhere

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