2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene

C15H20Br2O2 — CID 103166047

IUPAC2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)CC2CCC2)cc1Br
InChIInChI=1S/C15H20Br2O2/c1-18-7-8-19-15-6-5-12(10-14(15)17)13(16)9-11-3-2-4-11/h5-6,10-11,13H,2-4,7-9H2,1H3
InChIKeyIHXBNTQBSRJYOI-UHFFFAOYSA-N
MW392.13 g/mol
LogP5.10
Rot. Bonds7

About 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene

2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene (PubChem CID 103166047) has the molecular formula C15H20Br2O2 and a molecular weight of 392.13 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
PubChem CID103166047
Molecular FormulaC15H20Br2O2
Molecular Weight392.13 g/mol
Exact Mass389.98
IUPAC Name2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)CC2CCC2)cc1Br
InChIInChI=1S/C15H20Br2O2/c1-18-7-8-19-15-6-5-12(10-14(15)17)13(16)9-11-3-2-4-11/h5-6,10-11,13H,2-4,7-9H2,1H3
InChIKeyIHXBNTQBSRJYOI-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.13
LogP ≤ 55.10
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'}

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Related Compounds

1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
CID 104658264
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
CID 104662326
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
[3-bromo-4-(2-methoxyethoxy)phenyl]-(1,1-dioxothiolan-3-yl)methanamine
CID 104658136
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene (CID 103166047) is 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene is COCCOc1ccc(C(Br)CC2CCC2)cc1Br.
What is the InChIKey of 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene?
The InChIKey is IHXBNTQBSRJYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O2/c1-18-7-8-19-15-6-5-12(10-14(15)17)13(16)9-11-3-2-4-11/h5-6,10-11,13H,2-4,7-9H2,1H3.
What are the key properties of 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene?
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene has a molecular weight of 392.13 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 103166047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).