2-(4-bromophenyl)phenol

C12H9BrO — CID 18795255

IUPAC2-(4-bromophenyl)phenol
SMILESOc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H
InChIKeyZGOWIHIGUHWAMQ-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.82
Rot. Bonds1

About 2-(4-bromophenyl)phenol

2-(4-bromophenyl)phenol (PubChem CID 18795255) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)phenol.

Molecular Properties

Compound Name2-(4-bromophenyl)phenol
PubChem CID18795255
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name2-(4-bromophenyl)phenol
SMILESOc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H
InChIKeyZGOWIHIGUHWAMQ-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)phenol?
The IUPAC name of 2-(4-bromophenyl)phenol (CID 18795255) is 2-(4-bromophenyl)phenol.
What is the SMILES notation for 2-(4-bromophenyl)phenol?
The canonical SMILES for 2-(4-bromophenyl)phenol is Oc1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)phenol?
The InChIKey is ZGOWIHIGUHWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H.
What are the key properties of 2-(4-bromophenyl)phenol?
2-(4-bromophenyl)phenol has a molecular weight of 249.11 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)phenol is sourced from PubChem (CID 18795255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).