3-bromophenol

C6H5BrO — CID 11563

IUPAC3-bromophenol
SMILESOc1cccc(Br)c1
InChIInChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKeyMNOJRWOWILAHAV-UHFFFAOYSA-N
MW173.01 g/mol
LogP2.15
Rot. Bonds

About 3-bromophenol

3-bromophenol (PubChem CID 11563) has the molecular formula C6H5BrO and a molecular weight of 173.01 g/mol. Its IUPAC name is 3-bromophenol.

Molecular Properties

Compound Name3-bromophenol
PubChem CID11563
Molecular FormulaC6H5BrO
Molecular Weight173.01 g/mol
Exact Mass171.95
IUPAC Name3-bromophenol
SMILESOc1cccc(Br)c1
InChIInChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKeyMNOJRWOWILAHAV-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
4-Bromophenol
CID 7808
2,6-Dibromophenol
CID 11847
2-Bromo-1,4-benzenediol
CID 68502
Sodium phenoxide
CID 66602278
Xeroform
CID 57347797
Phenol-d6
CID 123295
3,5-Dibromophenol
CID 12280
2,6-Dibromo-4-fluorophenol
CID 67654

Frequently Asked Questions

What is the IUPAC name of 3-bromophenol?
The IUPAC name of 3-bromophenol (CID 11563) is 3-bromophenol.
What is the SMILES notation for 3-bromophenol?
The canonical SMILES for 3-bromophenol is Oc1cccc(Br)c1.
What is the InChIKey of 3-bromophenol?
The InChIKey is MNOJRWOWILAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H.
What are the key properties of 3-bromophenol?
3-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 3-bromophenol is sourced from PubChem (CID 11563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).