Sieber linker

C₁₃H₈O₃CAS 3722-51-8212.20 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₃H₈O₃
Molar mass: 212.20 g/mol
Exact mass: 212.0473 Da
logP: 2.65Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3722-51-8

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)O

InChIKey

XCJHDJAODLKGLG-UHFFFAOYSA-N

InChI

InChI=1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H

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

Names and synonyms

1 names

3-Hydroxyxanthen-9-one

Work with Sieber linker

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

Xanthone90-47-166 % similar 2-Dibenzofuranol86-77-161 % similar 3,7-Dihydroxyflavone492-00-260 % similar 7-Hydroxyisoflavone13057-72-254 % similar Urolithin A1143-70-051 % similar 7-Hydroxyflavone6665-86-751 % similar Fisetin528-48-349 % similar Daidzein486-66-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Urolithin B1139-83-9 2,7-Dihydroxyfluoren-9-one42523-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook