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

C9H11BrO2 — CID 18379608

IUPAC1-bromo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Br)c1
InChIInChI=1S/C9H11BrO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
InChIKeyCFUFZUWSBHTKRQ-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.47
Rot. Bonds4

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

1-bromo-3-(2-methoxyethoxy)benzene (PubChem CID 18379608) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-bromo-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-methoxyethoxy)benzene
PubChem CID18379608
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name1-bromo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Br)c1
InChIInChI=1S/C9H11BrO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
InChIKeyCFUFZUWSBHTKRQ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methoxyethoxy)benzene?
The IUPAC name of 1-bromo-3-(2-methoxyethoxy)benzene (CID 18379608) is 1-bromo-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-bromo-3-(2-methoxyethoxy)benzene is COCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-methoxyethoxy)benzene?
The InChIKey is CFUFZUWSBHTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-bromo-3-(2-methoxyethoxy)benzene?
1-bromo-3-(2-methoxyethoxy)benzene has a molecular weight of 231.09 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 18379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).