2,4-dibromo-1-ethoxybenzene

C8H8Br2O — CID 14644680

IUPAC2,4-dibromo-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1Br
InChIInChI=1S/C8H8Br2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKeyRUJWQUSDHUJXRD-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.61
Rot. Bonds2

About 2,4-dibromo-1-ethoxybenzene

2,4-dibromo-1-ethoxybenzene (PubChem CID 14644680) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 2,4-dibromo-1-ethoxybenzene.

Molecular Properties

Compound Name2,4-dibromo-1-ethoxybenzene
PubChem CID14644680
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name2,4-dibromo-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1Br
InChIInChI=1S/C8H8Br2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKeyRUJWQUSDHUJXRD-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-ethoxybenzene?
The IUPAC name of 2,4-dibromo-1-ethoxybenzene (CID 14644680) is 2,4-dibromo-1-ethoxybenzene.
What is the SMILES notation for 2,4-dibromo-1-ethoxybenzene?
The canonical SMILES for 2,4-dibromo-1-ethoxybenzene is CCOc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-ethoxybenzene?
The InChIKey is RUJWQUSDHUJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3.
What are the key properties of 2,4-dibromo-1-ethoxybenzene?
2,4-dibromo-1-ethoxybenzene has a molecular weight of 279.96 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-ethoxybenzene is sourced from PubChem (CID 14644680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).