4'-Benzyloxy-2'-hydroxyacetophenone

HCID 309257CAS 29682-12-0

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
Summenformel: C15H14O3
Durchschnittliche Molmasse: 242,27 g/mol
Monoisotopische Masse: 242,09429431

Namen und Bezeichner

Bevorzugter Name: 4'-Benzyloxy-2'-hydroxyacetophenone
IUPAC: 1-(2-hydroxy-4-phenylmethoxyphenyl)ethanone
Englischer Name: 4'-Benzyloxy-2'-hydroxyacetophenone
Summenformel: C15H14O3
Molmasse: 242.27

Namen und Synonyme

4'-Benzyloxy-2'-hydroxyacetophenoneDTXSID40309246RefChem:505980DTXCID30260372660-190-129682-12-01-(4-(benzyloxy)-2-hydroxyphenyl)ethanone4-Benzyloxy-2-hydroxyacetophenoneMFCD000546121-(2-hydroxy-4-phenylmethoxyphenyl)ethanoneEthanone, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-2-HYDROXY-4-BENZYLOXYACETOPHENONE

Weitere Namen anzeigen

VDUP1-THIF)ARRDC6HHCPA78EST01027NSC 2114605-Diacetate-Bromohymenin-(Amino-κ-Thiothymidine

1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone1-[4-(benzyloxy)-2-hydroxyphenyl]ethan-1-one1-(4-Benzyloxy-2-hydroxyphenyl)ethanoneCHEMBL55694891-[2-hydroxy-4-(phenylmethoxy)phenyl]ethanone(5alpha,17beta)-3-Oxo-4-azaandrost-1-ene-17-carboxamide1-(4-(benzyloxy)-2-hydroxyphenyl)ethan-1-one1-[2-Hydroxy-4-(phenylmethoxy)phenyl]-ethanone

Datenbank-Bezeichner

CAS: 29682-12-0
PubChem CID: 309257
DTXSID: DTXSID40309246
ChEMBL: CHEMBL5569489
EC Number: 660-190-1
Nikkaji: J183.666H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 271

Physikochemische Eigenschaften

Schmelzpunkt: 104 · 104-106°C
Siedepunkt: 415.7 · 415.7±30.0 °C(Predicted)
Dichte: 1.187 · 1.187±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly, Heated)
pka: 9.79 · 9.79±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Dark green
InChI: InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKey: AGQNLHOTLJFJCG-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(OCC2=CC=CC=C2)C=C1O)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.