4-(3-Bromophenyl)butan-1-ol

HCID 21895489

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OCCCCc1cccc(Br)c1
InChIKey: RUJHXULZDUAFOT-UHFFFAOYSA-N
Molecular formula: C10H13BrO
Average molar mass: 229.11 g/mol

Names & identifiers

Preferred name: 4-(3-Bromophenyl)butan-1-ol
IUPAC: 4-(3-bromophenyl)butan-1-ol

Names & synonyms

4-(3-bromophenyl)butan-1-ol218153-01-63-Bromo-benzenebutanolMFCD203407214-(3-bromophenyl)butanolSCHEMBL1047545SCHEMBL1047547RUJHXULZDUAFOT-UHFFFAOYSA-NTIA15301AKOS013841342AT22147CS-0230906

Show more names

EN300-106096F649518Z1233226242

Database identifiers

PubChem CID: 21895489

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 116

Related reactions

23 records

New reaction record

HRID 30563As productuspto-grants-2008_09

HRID 30564As reactantuspto-grants-2008_09

HRID 119842As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121966As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 573921As productuspto-grants-2015_05

HRID 720836As productuspto-grants-2006_11

HRID 720837As reactantuspto-grants-2006_11

HRID 916841As reactantuspto-grants-2007_09

Compound notes

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