4-(2-Iodoethyl)phenol

Substructure search Find similar structures

Basic information

CAS: 6631-69-2
Standard SMILES: Oc1ccc(CCI)cc1
InChIKey: OGMCDNXCHXQKHO-UHFFFAOYSA-N
Molecular formula: C8H9IO
Average molar mass: 248.06 g/mol
Monoisotopic mass: 247.96981

Names & identifiers

Preferred name: 4-(2-Iodoethyl)phenol
IUPAC: 4-(2-iodoethyl)phenol

Names & synonyms

4-(2-iodoethyl)phenol6631-69-2DTXSID70288858RefChem:287257DTXCID40240004NSC57917CHEMBL55682SCHEMBL2767610OGMCDNXCHXQKHO-UHFFFAOYSA-NNSC-57917DS-014475

Database identifiers

CAS: 6631-69-2
PubChem CID: 245696
DTXSID: DTXSID70288858
ChEMBL: CHEMBL55682
Nikkaji: J3.270.205H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Related reactions

2 records

New reaction record

HRID 133777As productuspto-grants-2008_06

HRID 1573150As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…