4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene

C15H20Br2O2 — CID 103165706

IUPAC4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
SMILESCCOC1CC(CC(Br)c2cc(Br)ccc2OC)C1
InChIInChI=1S/C15H20Br2O2/c1-3-19-12-6-10(7-12)8-14(17)13-9-11(16)4-5-15(13)18-2/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyNDZBHERQRJJIQI-UHFFFAOYSA-N
MW392.13 g/mol
LogP5.10
Rot. Bonds6

About 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene

4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene (PubChem CID 103165706) has the molecular formula C15H20Br2O2 and a molecular weight of 392.13 g/mol. Its IUPAC name is 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
PubChem CID103165706
Molecular FormulaC15H20Br2O2
Molecular Weight392.13 g/mol
Exact Mass389.98
IUPAC Name4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
SMILESCCOC1CC(CC(Br)c2cc(Br)ccc2OC)C1
InChIInChI=1S/C15H20Br2O2/c1-3-19-12-6-10(7-12)8-14(17)13-9-11(16)4-5-15(13)18-2/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyNDZBHERQRJJIQI-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-3-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]thiophene
CID 103165824
1-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]naphthalene
CID 103165911
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-bromo-4-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-2,5-difluorobenzene
CID 103165899
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165538
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
CID 103167202
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene (CID 103165706) is 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene is CCOC1CC(CC(Br)c2cc(Br)ccc2OC)C1.
What is the InChIKey of 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene?
The InChIKey is NDZBHERQRJJIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O2/c1-3-19-12-6-10(7-12)8-14(17)13-9-11(16)4-5-15(13)18-2/h4-5,9-10,12,14H,3,6-8H2,1-2H3.
What are the key properties of 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene?
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene has a molecular weight of 392.13 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 103165706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).