4-bromo-1-chloro-2-ethoxybenzene

C8H8BrClO — CID 50998187

IUPAC4-bromo-1-chloro-2-ethoxybenzene
SMILESCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C8H8BrClO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
InChIKeyNLYBGPXRAMZWPD-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.50
Rot. Bonds2

About 4-bromo-1-chloro-2-ethoxybenzene

4-bromo-1-chloro-2-ethoxybenzene (PubChem CID 50998187) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-ethoxybenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-ethoxybenzene
PubChem CID50998187
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name4-bromo-1-chloro-2-ethoxybenzene
SMILESCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C8H8BrClO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
InChIKeyNLYBGPXRAMZWPD-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-ethoxybenzene?
The IUPAC name of 4-bromo-1-chloro-2-ethoxybenzene (CID 50998187) is 4-bromo-1-chloro-2-ethoxybenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-ethoxybenzene?
The canonical SMILES for 4-bromo-1-chloro-2-ethoxybenzene is CCOc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-ethoxybenzene?
The InChIKey is NLYBGPXRAMZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-1-chloro-2-ethoxybenzene?
4-bromo-1-chloro-2-ethoxybenzene has a molecular weight of 235.51 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-ethoxybenzene is sourced from PubChem (CID 50998187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).