1-(4'-Pentyl-2-fluorobiphenyl-4-yl)-2-(5-heptyl-1,3-dioxan-2-yl)-ethane

HCID 20162533
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Basic information

Standard SMILES
CCCCCCCC1COC(CCc2ccc(-c3ccc(CCCCC)cc3)c(F)c2)OC1
InChIKey
JIDCRPFSQCNUOP-UHFFFAOYSA-N
Molecular formula
C30H43FO2
Average molar mass
454.7 g/mol
Monoisotopic mass
454.32470877

Names & identifiers

Preferred name
1-(4'-Pentyl-2-fluorobiphenyl-4-yl)-2-(5-heptyl-1,3-dioxan-2-yl)-ethane
IUPAC
2-[2-[3-fluoro-4-(4-pentylphenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane

Names & synonyms

SCHEMBL10502595JIDCRPFSQCNUOP-UHFFFAOYSA-N1-(4'-pentyl-2-fluorobiphenyl-4-yl)-2-(5-heptyl-1,3-dioxan-2-yl)-ethane

Database identifiers

PubChem CID
20162533

Properties

Computed structural properties

XLogP
10.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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