1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene

C15H20Br2O — CID 103166023

IUPAC1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C(Br)CC1CCC1
InChIInChI=1S/C15H20Br2O/c1-9-7-12(16)10(2)14(15(9)18-3)13(17)8-11-5-4-6-11/h7,11,13H,4-6,8H2,1-3H3
InChIKeyURVIKVIOFBGRQG-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.70
Rot. Bonds4

About 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene

1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene (PubChem CID 103166023) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
PubChem CID103166023
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C(Br)CC1CCC1
InChIInChI=1S/C15H20Br2O/c1-9-7-12(16)10(2)14(15(9)18-3)13(17)8-11-5-4-6-11/h7,11,13H,4-6,8H2,1-3H3
InChIKeyURVIKVIOFBGRQG-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.70
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

N-[1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103163338
5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
CID 83068659
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165524
1-bromo-3-[bromo-(2,5-dibromophenyl)methyl]-4-methoxy-2,5-dimethylbenzene
CID 114375192
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylsulfonylethanol
CID 113370192
N-[(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001381
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide
CID 113370041
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene (CID 103166023) is 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene is COc1c(C)cc(Br)c(C)c1C(Br)CC1CCC1.
What is the InChIKey of 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene?
The InChIKey is URVIKVIOFBGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-9-7-12(16)10(2)14(15(9)18-3)13(17)8-11-5-4-6-11/h7,11,13H,4-6,8H2,1-3H3.
What are the key properties of 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene?
1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene has a molecular weight of 376.13 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 103166023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).