HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-(4-Octylphenyl)ethyl bromide

HCID 9861007
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCc1ccc(CCBr)cc1
InChIKey
PLDICAWLDKZBFW-UHFFFAOYSA-N
Molecular formula
C16H25Br
Average molar mass
297.27 g/mol

Names & identifiers

Preferred name
2-(4-Octylphenyl)ethyl bromide
IUPAC
1-(2-bromoethyl)-4-octylbenzene

Names & synonyms

2-(4-octylphenyl)ethyl bromide268557-54-6SCHEMBL5847148PLDICAWLDKZBFW-UHFFFAOYSA-N

Database identifiers

PubChem CID
9861007

Properties

Computed structural properties

XLogP
7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
9
Heavy atoms
17
Formal charge
0
Complexity
159

Related reactions

6 records
New reaction record
HRID 395944 reaction equation
HRID 395944As productuspto-grants-2003_08
HRID 395945 reaction equation
HRID 395945As reactantuspto-grants-2003_08
HRID 692252 reaction equation
HRID 692252As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 951887 reaction equation
HRID 951887As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1795500 reaction equation
HRID 1795500As productuspto-grants-2006_04
HRID 1795501 reaction equation
HRID 1795501As reactantuspto-grants-2006_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes