1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene

C12H17BrO3 — CID 15050628

IUPAC1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccccc1Br
InChIInChI=1S/C12H17BrO3/c1-14-6-7-15-8-9-16-10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyMRUDVTCIYVWUOE-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.63
Rot. Bonds8

About 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene

1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene (PubChem CID 15050628) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
PubChem CID15050628
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccccc1Br
InChIInChI=1S/C12H17BrO3/c1-14-6-7-15-8-9-16-10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyMRUDVTCIYVWUOE-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
2-(2-methoxyethoxymethyl)phenol
CID 21397612
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
CID 82825483
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene
CID 135207242

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The IUPAC name of 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene (CID 15050628) is 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The canonical SMILES for 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene is COCCOCCOCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The InChIKey is MRUDVTCIYVWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-14-6-7-15-8-9-16-10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3.
What are the key properties of 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene has a molecular weight of 289.17 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene is sourced from PubChem (CID 15050628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).