2-bromophenol

C6H5BrO — CID 7244

IUPAC2-bromophenol
SMILESOc1ccccc1Br
InChIInChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyVADKRMSMGWJZCF-UHFFFAOYSA-N
MW173.01 g/mol
LogP2.15
Rot. Bonds

About 2-bromophenol

2-bromophenol (PubChem CID 7244) has the molecular formula C6H5BrO and a molecular weight of 173.01 g/mol. Its IUPAC name is 2-bromophenol.

Molecular Properties

Compound Name2-bromophenol
PubChem CID7244
Molecular FormulaC6H5BrO
Molecular Weight173.01 g/mol
Exact Mass171.95
IUPAC Name2-bromophenol
SMILESOc1ccccc1Br
InChIInChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyVADKRMSMGWJZCF-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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Frequently Asked Questions

What is the IUPAC name of 2-bromophenol?
The IUPAC name of 2-bromophenol (CID 7244) is 2-bromophenol.
What is the SMILES notation for 2-bromophenol?
The canonical SMILES for 2-bromophenol is Oc1ccccc1Br.
What is the InChIKey of 2-bromophenol?
The InChIKey is VADKRMSMGWJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H.
What are the key properties of 2-bromophenol?
2-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 2-bromophenol is sourced from PubChem (CID 7244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).