1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene

C15H14BrClO2 — CID 55224568

IUPAC1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
SMILESClCc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrClO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8,11H2
InChIKeyPMVKKCPQIUXYOE-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.65
Rot. Bonds6

About 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene

1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene (PubChem CID 55224568) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
PubChem CID55224568
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
SMILESClCc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrClO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8,11H2
InChIKeyPMVKKCPQIUXYOE-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]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-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3-[3-(chloromethyl)phenoxy]propanoic acid
CID 54044579
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)aniline
CID 65024389
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518
3-(3-bromophenoxy)propane-1-thiol
CID 79019350

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene (CID 55224568) is 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene is ClCc1cccc(OCCOc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene?
The InChIKey is PMVKKCPQIUXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8,11H2.
What are the key properties of 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene?
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene has a molecular weight of 341.63 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene is sourced from PubChem (CID 55224568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).