1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene

C12H14Br2O — CID 66343574

IUPAC1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
SMILESCC1(C)C(Br)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C12H14Br2O/c1-12(2)10(14)7-11(12)15-9-5-3-8(13)4-6-9/h3-6,10-11H,7H2,1-2H3
InChIKeyDLSPYZBXRWZSDR-UHFFFAOYSA-N
MW334.05 g/mol
LogP4.39
Rot. Bonds2

About 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene

1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene (PubChem CID 66343574) has the molecular formula C12H14Br2O and a molecular weight of 334.05 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
PubChem CID66343574
Molecular FormulaC12H14Br2O
Molecular Weight334.05 g/mol
Exact Mass331.94
IUPAC Name1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
SMILESCC1(C)C(Br)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C12H14Br2O/c1-12(2)10(14)7-11(12)15-9-5-3-8(13)4-6-9/h3-6,10-11H,7H2,1-2H3
InChIKeyDLSPYZBXRWZSDR-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The IUPAC name of 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene (CID 66343574) is 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The canonical SMILES for 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene is CC1(C)C(Br)CC1Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The InChIKey is DLSPYZBXRWZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O/c1-12(2)10(14)7-11(12)15-9-5-3-8(13)4-6-9/h3-6,10-11H,7H2,1-2H3.
What are the key properties of 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene has a molecular weight of 334.05 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene is sourced from PubChem (CID 66343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).