Flurenol-butyl

C₁₈H₁₈O₃CAS 2314-09-2282.34 g/mol

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Properties

Molecular formula: C₁₈H₁₈O₃
Molar mass: 282.34 g/mol
Exact mass: 282.1256 Da
Melting point: 71 °C
logP: 3.25Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% 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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2314-09-2

SMILES

CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21

InChIKey

PSGPXWYGJGGEEG-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3

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

Names and synonyms

16 names · show all

9H-Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester
Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester
IT 3233
Butyl morphactin
Butyl 9-hydroxyfluorene-9-carboxylate
TH 407-H
Morphactin IT 3233
Flurecol-butyl
9-Hydroxyfluorene-9-carboxylic acid butyl ester
9-Hydroxy-9H-fluorene-9-carboxylic acid butyl ester
Butyl 9-hydroxyfluorenyl-9-carboxylate
EMD 7311W
Flurenol butyl ester
Flurenol ester
Butyl flurenol
EMD IT 3233

Work with Flurenol-butyl

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

Flurenol-methyl ester1216-44-059 % similar Chlorflurenol methyl2536-31-447 % similar Ethyl benzilate52182-15-747 % similar Dibutyl phthalate84-74-247 % similar Tributyl citrate77-94-146 % similar Butyl benzoate136-60-745 % similar Butyl 2,2,2-trifluoroacetate367-64-645 % similar Flurenol467-69-645 % similar

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

Same formula

1-[2-(2-Oxiranylmethoxy)phenyl]-3-phenyl-1-propanone22525-95-7

Elsewhere

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