1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene

C15H22BrClO4 — CID 104565572

IUPAC1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
SMILESCOCCOCCOCCOC(CBr)c1cccc(Cl)c1
InChIInChI=1S/C15H22BrClO4/c1-18-5-6-19-7-8-20-9-10-21-15(12-16)13-3-2-4-14(17)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyBBZHNJANDVBRIP-UHFFFAOYSA-N
MW381.69 g/mol
LogP3.47
Rot. Bonds12

About 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene

1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene (PubChem CID 104565572) has the molecular formula C15H22BrClO4 and a molecular weight of 381.69 g/mol. Its IUPAC name is 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
PubChem CID104565572
Molecular FormulaC15H22BrClO4
Molecular Weight381.69 g/mol
Exact Mass380.04
IUPAC Name1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
SMILESCOCCOCCOCCOC(CBr)c1cccc(Cl)c1
InChIInChI=1S/C15H22BrClO4/c1-18-5-6-19-7-8-20-9-10-21-15(12-16)13-3-2-4-14(17)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyBBZHNJANDVBRIP-UHFFFAOYSA-N
XLogP3.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
1-[2-bromo-1-(2-methylpropoxy)ethyl]-3-chlorobenzene
CID 62112370
1-[2-bromo-1-(3-phenylpropoxy)ethyl]-3-chlorobenzene
CID 63473880
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene
CID 104565575
1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
CID 63685610
1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62107616
1-[2-bromo-1-(2-methylpentoxy)ethyl]-3-chlorobenzene
CID 103285122
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-chlorobenzene
CID 116500349

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene?
The IUPAC name of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene (CID 104565572) is 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene.
What is the SMILES notation for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene?
The canonical SMILES for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene is COCCOCCOCCOC(CBr)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene?
The InChIKey is BBZHNJANDVBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClO4/c1-18-5-6-19-7-8-20-9-10-21-15(12-16)13-3-2-4-14(17)11-13/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene?
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene has a molecular weight of 381.69 g/mol, XLogP of 3.47, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene is sourced from PubChem (CID 104565572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).