4-bromophenol

C6H5BrO — CID 7808

IUPAC4-bromophenol
SMILESOc1ccc(Br)cc1
InChIInChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyGZFGOTFRPZRKDS-UHFFFAOYSA-N
MW173.01 g/mol
LogP2.15
Rot. Bonds

About 4-bromophenol

4-bromophenol (PubChem CID 7808) has the molecular formula C6H5BrO and a molecular weight of 173.01 g/mol. Its IUPAC name is 4-bromophenol.

Molecular Properties

Compound Name4-bromophenol
PubChem CID7808
Molecular FormulaC6H5BrO
Molecular Weight173.01 g/mol
Exact Mass171.95
IUPAC Name4-bromophenol
SMILESOc1ccc(Br)cc1
InChIInChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyGZFGOTFRPZRKDS-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenol
CID 996
2,4,6-Tribromophenol
CID 1483
2,4-Dibromophenol
CID 12005
2-Bromophenol
CID 7244
2,6-Dibromophenol
CID 11847
3-Bromophenol
CID 11563
2-Bromo-1,4-benzenediol
CID 68502
Sodium phenoxide
CID 66602278
4-Bromo-2-methylphenol
CID 16896
Xeroform
CID 57347797
Phenol-d6
CID 123295
3,5-Dibromophenol
CID 12280

Frequently Asked Questions

What is the IUPAC name of 4-bromophenol?
The IUPAC name of 4-bromophenol (CID 7808) is 4-bromophenol.
What is the SMILES notation for 4-bromophenol?
The canonical SMILES for 4-bromophenol is Oc1ccc(Br)cc1.
What is the InChIKey of 4-bromophenol?
The InChIKey is GZFGOTFRPZRKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H.
What are the key properties of 4-bromophenol?
4-bromophenol has a molecular weight of 173.01 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromophenol is sourced from PubChem (CID 7808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).