Bisphenoxyethanolfluorene

C₂₉H₂₆O₄CAS 117344-32-8438.52 g/mol

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Properties

Molecular formula: C₂₉H₂₆O₄
Molar mass: 438.52 g/mol
Exact mass: 438.1831 Da
logP: 4.79Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

117344-32-8

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO

InChIKey

NQXNYVAALXGLQT-UHFFFAOYSA-N

InChI

InChI=1S/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2

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Names and synonyms

1 names

9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene

Work with Bisphenoxyethanolfluorene

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

9,9-Bis[4-(2-oxiranemethyloxyethyloxy)phenyl]fluorene259881-39-558 % similar 9,9-Bis(4-allyloxyphenyl)fluorene142494-81-357 % similar 9,9-Bis(4-glycidyloxyphenyl)fluorene47758-37-257 % similar Hydroquinone bis(2-hydroxyethyl) ether104-38-155 % similar Phenoxyethanol122-99-655 % similar ((9H-Fluorene-9,9-diyl)bis((4,1-phenylene)oxy)ethane-2,1-diyl) diprop-2-enoate161182-73-653 % similar 9,9′-Bis(4-hydroxyphenyl)fluorene3236-71-350 % similar 4,4'-(((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))dianiline47823-88-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook