4-[(4-Bromophenyl)(cyclohexylidene)methyl]-2-fluorophenol

HCID 68654530

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(C(=C2CCCCC2)c2ccc(Br)cc2)cc1F
InChIKey: IINYXBILYQKAMK-UHFFFAOYSA-N
Molecular formula: C19H18BrFO
Average molar mass: 361.2 g/mol

Names & identifiers

Preferred name: 4-[(4-Bromophenyl)(cyclohexylidene)methyl]-2-fluorophenol
IUPAC: 4-[(4-bromophenyl)-cyclohexylidenemethyl]-2-fluorophenol

Names & synonyms

SCHEMBL3468456IINYXBILYQKAMK-UHFFFAOYSA-N4-[(4-Bromophenyl)(cyclohexylidene)methyl]-2-fluorophenol

Database identifiers

PubChem CID: 68654530

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 392

Related reactions

8 records

New reaction record

HRID 229193As productuspto-grants-2009_07

HRID 229194As reactantuspto-grants-2009_07

HRID 672028As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1550663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1716043As productuspto-grants-2010_09

HRID 1716044As reactantuspto-grants-2010_09

HRID 2100089As productuspto-grants-2009_08

HRID 2100090As reactantuspto-grants-2009_08

Compound notes

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