bromobenzene;ethoxyethane

C10H15BrO — CID 69404778

IUPACbromobenzene;ethoxyethane
SMILESBrc1ccccc1.CCOCC
InChIInChI=1S/C6H5Br.C4H10O/c7-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H;3-4H2,1-2H3
InChIKeyGEFXPJUALJJQCD-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.49
Rot. Bonds2

About bromobenzene;ethoxyethane

bromobenzene;ethoxyethane (PubChem CID 69404778) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is bromobenzene;ethoxyethane.

Molecular Properties

Compound Namebromobenzene;ethoxyethane
PubChem CID69404778
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Namebromobenzene;ethoxyethane
SMILESBrc1ccccc1.CCOCC
InChIInChI=1S/C6H5Br.C4H10O/c7-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H;3-4H2,1-2H3
InChIKeyGEFXPJUALJJQCD-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;ethoxyethane?
The IUPAC name of bromobenzene;ethoxyethane (CID 69404778) is bromobenzene;ethoxyethane.
What is the SMILES notation for bromobenzene;ethoxyethane?
The canonical SMILES for bromobenzene;ethoxyethane is Brc1ccccc1.CCOCC.
What is the InChIKey of bromobenzene;ethoxyethane?
The InChIKey is GEFXPJUALJJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C4H10O/c7-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H;3-4H2,1-2H3.
What are the key properties of bromobenzene;ethoxyethane?
bromobenzene;ethoxyethane has a molecular weight of 231.13 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;ethoxyethane is sourced from PubChem (CID 69404778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).