bromobenzene;ethanol

C8H11BrO — CID 134249194

IUPACbromobenzene;ethanol
SMILESBrc1ccccc1.CCO
InChIInChI=1S/C6H5Br.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;3H,2H2,1H3
InChIKeyXPRLBVADEUEGBY-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.45
Rot. Bonds

About bromobenzene;ethanol

bromobenzene;ethanol (PubChem CID 134249194) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is bromobenzene;ethanol.

Molecular Properties

Compound Namebromobenzene;ethanol
PubChem CID134249194
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Namebromobenzene;ethanol
SMILESBrc1ccccc1.CCO
InChIInChI=1S/C6H5Br.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;3H,2H2,1H3
InChIKeyXPRLBVADEUEGBY-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;ethanol?
The IUPAC name of bromobenzene;ethanol (CID 134249194) is bromobenzene;ethanol.
What is the SMILES notation for bromobenzene;ethanol?
The canonical SMILES for bromobenzene;ethanol is Brc1ccccc1.CCO.
What is the InChIKey of bromobenzene;ethanol?
The InChIKey is XPRLBVADEUEGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;3H,2H2,1H3.
What are the key properties of bromobenzene;ethanol?
bromobenzene;ethanol has a molecular weight of 203.08 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;ethanol is sourced from PubChem (CID 134249194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).