4-[(4-Bromophenyl)(cyclopentylidene)methyl]phenol

HCID 68654502

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(C(=C2CCCC2)c2ccc(Br)cc2)cc1
InChIKey: CILNMTCSPHFEQQ-UHFFFAOYSA-N
Molecular formula: C18H17BrO
Average molar mass: 329.2 g/mol
Monoisotopic mass: 328.04628

Names & identifiers

Preferred name: 4-[(4-Bromophenyl)(cyclopentylidene)methyl]phenol
IUPAC: 4-[(4-bromophenyl)-cyclopentylidenemethyl]phenol

Names & synonyms

SCHEMBL3468390CILNMTCSPHFEQQ-UHFFFAOYSA-N4-[(4-Bromophenyl)(cyclopentylidene)methyl]phenol

Database identifiers

PubChem CID: 68654502

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 338

Related reactions

8 records

New reaction record

HRID 229127As productuspto-grants-2009_07

HRID 229128As reactantuspto-grants-2009_07

HRID 1715981As productuspto-grants-2010_09

HRID 1715982As reactantuspto-grants-2010_09

HRID 2100021As productuspto-grants-2009_08

HRID 2100022As reactantuspto-grants-2009_08

HRID 2140462As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2161556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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