8-(4-(4-Fluorophenyl)-1-methylbutyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol

Substructure search Find similar structures

Basic information

CAS: 52763-30-1
Standard SMILES: C#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIKey: UIDOJGIFVOOMLY-UHFFFAOYSA-N
Molecular formula: C28H32FNO2
Average molar mass: 433.6 g/mol
Monoisotopic mass: 433.24170743

Overview

tetrahydropyridobenzopyran derived from cannabinoid nucleus; structure

Names & identifiers

Preferred name: 8-(4-(4-Fluorophenyl)-1-methylbutyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
IUPAC: 8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

Names & synonyms

52763-30-1Abbott 419882H-(1)Benzopyrano(4,3-c)pyridin-10-ol, 8-(4-(4-fluorophenyl)-1-methylbutyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-RefChem:9144818-(4-(4-Fluorophenyl)-1-methylbutyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-olA-41988BW29YTCMDC-12427768GDT58M658-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-olUNII-68GDT58M65CHEMBL303312

Show more names

2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-[4-(4-fluorophenyl)-1-methylbutyl]-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-Abbott-419882H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OL, 8-(4-(4-FLUOROPHENYL)-1-METHYLBUTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-ChemDiv1_024240Oprea1_199590SCHEMBL11706837HMS655N18DTXSID30967213

Database identifiers

CAS: 52763-30-1
PubChem CID: 3085018
DTXSID

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 729

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…