1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene

C15H20Br2O — CID 103166521

IUPAC1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
SMILESCCOC1CC(CC(Br)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H20Br2O/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyMONBSJHBBRHWGO-UHFFFAOYSA-N
MW376.13 g/mol
LogP4.96
Rot. Bonds6

About 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene

1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene (PubChem CID 103166521) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
PubChem CID103166521
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
SMILESCCOC1CC(CC(Br)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H20Br2O/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyMONBSJHBBRHWGO-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
CID 112553206
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167216
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
2,5-dibromo-3-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]thiophene
CID 103165824

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene?
The IUPAC name of 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene (CID 103166521) is 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene?
The canonical SMILES for 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene is CCOC1CC(CC(Br)Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene?
The InChIKey is MONBSJHBBRHWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene?
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene has a molecular weight of 376.13 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene is sourced from PubChem (CID 103166521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).