Molecular Identity
4-Bromophenol
4-bromophenol
PubChem CID: 7808
4-bromophenol is a bromophenol containing only hydroxy and bromo substituents that are para to one another. It has a role as a mouse metabolite, a marine metabolite, a human xenobiotic metabolite, a persistent organic pollutant, a human urinary metabolite and a rat metabolite.
2D Structure
Properties
C6H5BrO
Molecular Formula
173.01
Molecular Weight
g/mol
171.9524
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
66
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1O)BrIsomeric SMILES
SMILES: C1=CC(=CC=C1O)BrSynonyms(20)
4-BROMOPHENOL106-41-2p-BromophenolPhenol, 4-bromo-p-Bromohydroxybenzenepara-bromophenolLAO4J0183INSC-4970DTXSID3051543CHEBI:47248RefChem:98212DTXCID4030095203-394-44-Bromo-phenolp-Bromophenic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Bromophenol
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