2-(4-bromophenyl)benzene-1,3-diol

C12H9BrO2 — CID 15783421

IUPAC2-(4-bromophenyl)benzene-1,3-diol
SMILESOc1cccc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO2/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7,14-15H
InChIKeyDKXXHZOTLJQBJZ-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.53
Rot. Bonds1

About 2-(4-bromophenyl)benzene-1,3-diol

2-(4-bromophenyl)benzene-1,3-diol (PubChem CID 15783421) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(4-bromophenyl)benzene-1,3-diol
PubChem CID15783421
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name2-(4-bromophenyl)benzene-1,3-diol
SMILESOc1cccc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO2/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7,14-15H
InChIKeyDKXXHZOTLJQBJZ-UHFFFAOYSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)benzene-1,3-diol?
The IUPAC name of 2-(4-bromophenyl)benzene-1,3-diol (CID 15783421) is 2-(4-bromophenyl)benzene-1,3-diol.
What is the SMILES notation for 2-(4-bromophenyl)benzene-1,3-diol?
The canonical SMILES for 2-(4-bromophenyl)benzene-1,3-diol is Oc1cccc(O)c1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)benzene-1,3-diol?
The InChIKey is DKXXHZOTLJQBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7,14-15H.
What are the key properties of 2-(4-bromophenyl)benzene-1,3-diol?
2-(4-bromophenyl)benzene-1,3-diol has a molecular weight of 265.11 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)benzene-1,3-diol is sourced from PubChem (CID 15783421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).