4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester

HCID 69548418

Grundinformationen

Standard-SMILES
COC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1F
InChIKey
CSIQFZXLEDQFBQ-UHFFFAOYSA-N
Summenformel
C26H25FO3
Durchschnittliche Molmasse
404,5 g/mol
Monoisotopische Masse
404,17877282

Namen und Bezeichner

Bevorzugter Name
4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
IUPAC
methyl 4-[2-(8-cyclopropyl-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluorobenzoate

Namen und Synonyme

SCHEMBL5736364CSIQFZXLEDQFBQ-UHFFFAOYSA-N4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[-2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2 H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopvran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2.1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester

Datenbank-Bezeichner

PubChem CID
69548418

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,4
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
5
Schwere Atome
30

Zugehörige Reaktionen

80

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