8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-prop-2-enoxychromeno[4,3-c]pyridine
Basic information
- CAS
55477-16-2- Standard SMILES
C=CCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1-c1cnccc1C(C)(C)O2- InChIKey
JGNOLEMBWWKEDT-UHFFFAOYSA-N- Molecular formula
- C28H30FNO2
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.22605742
Names & identifiers
- Preferred name
- 8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-prop-2-enoxychromeno[4,3-c]pyridine
- IUPAC
- 8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-prop-2-enoxychromeno[4,3-c]pyridine
Names & synonyms
55477-16-2NSC3492188-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-prop-2-enoxychromeno[4,3-c]pyridineCHEMBL3273450SCHEMBL11324382DTXSID10319675JGNOLEMBWWKEDT-UHFFFAOYSA-NNSC-349218DS-0089695,5-Dimethyl-8-[5-(4-fluorophenyl)-2-pentyl]-10-(2-propenyloxy)-5H-[1]benzopyrano[3,4-d]pyridine5H-[1]benzopyrano[4,3-c]pyridine, 8-[4-(4-fluorophenyl)-1-methylbutyl]-5,5-dimethyl-10-(2-propenyloxy)-8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[(prop-2-en-1-yl)oxy]-5H-[1]benzopyrano[4,3-c]pyridine
Database identifiers
- CAS
55477-16-2- PubChem CID
- 336153
- DTXSID
DTXSID10319675- ChEMBL
CHEMBL3273450
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 602
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Related reactions
2 records
Compound notes
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