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[4'-(3-Fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-yl]methanol

HCID 57787394
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(OCCC(C)(C)F)ccc1-c1cccc(CO)c1C
InChIKey
SJHOLIZXSYQUJT-UHFFFAOYSA-N
Molecular formula
C20H25FO2
Average molar mass
316.4 g/mol

Names & identifiers

Preferred name
[4'-(3-Fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-yl]methanol
IUPAC
[3-[4-(3-fluoro-3-methylbutoxy)-2-methylphenyl]-2-methylphenyl]methanol

Names & synonyms

SCHEMBL2022751SJHOLIZXSYQUJT-UHFFFAOYSA-N[4'-(3-fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-yl]methanol

Database identifiers

PubChem CID
57787394

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
358

Related reactions

2 records
New reaction record
HRID 2341327 reaction equation
HRID 2341327As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2426774 reaction equation
HRID 2426774As productuspto-grants-2011_06

Compound notes

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