3-(2',4'-Difluoro-4-biphenylyl)butan-1-ol

HCID 21322604

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(CCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIKey: XPDQSIPJYGNUIY-UHFFFAOYSA-N
Molecular formula: C16H16F2O
Average molar mass: 262.29 g/mol
Monoisotopic mass: 262.11692145

Names & identifiers

Preferred name: 3-(2',4'-Difluoro-4-biphenylyl)butan-1-ol
IUPAC: 3-[4-(2,4-difluorophenyl)phenyl]butan-1-ol

Names & synonyms

SCHEMBL11544423XPDQSIPJYGNUIY-UHFFFAOYSA-N3-(2',4'-difluoro-4-biphenylyl)butan-1-ol

Database identifiers

PubChem CID: 21322604

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 263

Related reactions

7 records

New reaction record

HRID 26935As reactantuspto-grants-1979_04

HRID 26938As productuspto-grants-1979_04

HRID 26947As productuspto-grants-1979_04

HRID 121255As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1439063As reactantuspto-grants-1977_11

HRID 1439073As productuspto-grants-1977_11

HRID 1555670As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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