1-bromo-3-(2-methoxyethyl)benzene

C9H11BrO — CID 67542814

IUPAC1-bromo-3-(2-methoxyethyl)benzene
SMILESCOCCc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7H,5-6H2,1H3
InChIKeyJPNLZIUDKJYWEN-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.64
Rot. Bonds3

About 1-bromo-3-(2-methoxyethyl)benzene

1-bromo-3-(2-methoxyethyl)benzene (PubChem CID 67542814) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-3-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-methoxyethyl)benzene
PubChem CID67542814
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-3-(2-methoxyethyl)benzene
SMILESCOCCc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7H,5-6H2,1H3
InChIKeyJPNLZIUDKJYWEN-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methoxyethyl)benzene?
The IUPAC name of 1-bromo-3-(2-methoxyethyl)benzene (CID 67542814) is 1-bromo-3-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-methoxyethyl)benzene?
The canonical SMILES for 1-bromo-3-(2-methoxyethyl)benzene is COCCc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-methoxyethyl)benzene?
The InChIKey is JPNLZIUDKJYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-bromo-3-(2-methoxyethyl)benzene?
1-bromo-3-(2-methoxyethyl)benzene has a molecular weight of 215.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methoxyethyl)benzene is sourced from PubChem (CID 67542814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).