4-(2,3-Difluorophenoxy)-butan-1-ol

HCID 22016257

Substructure search Find similar structures

Basic information

Standard SMILES: OCCCCOc1cccc(F)c1F
InChIKey: XJNLAHYQGBPVFX-UHFFFAOYSA-N
Molecular formula: C10H12F2O2
Average molar mass: 202.2 g/mol

Names & identifiers

Preferred name: 4-(2,3-Difluorophenoxy)-butan-1-ol
IUPAC: 4-(2,3-difluorophenoxy)butan-1-ol

Names & synonyms

SCHEMBL6002091XJNLAHYQGBPVFX-UHFFFAOYSA-NAKOS0123371264-(2,3-Difluorophenoxy)-butan-1-ol

Database identifiers

PubChem CID: 22016257

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 155

Related reactions

6 records

New reaction record

HRID 6589 reaction equation

HRID 6589As productuspto-grants-2006_08

HRID 6590 reaction equation

HRID 6590As reactantuspto-grants-2006_08

HRID 6595 reaction equation

HRID 6595As productuspto-grants-2006_08

HRID 6596 reaction equation

HRID 6596As reactantuspto-grants-2006_08

HRID 950647 reaction equation

HRID 950647As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1208087 reaction equation

HRID 1208087As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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