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

C12H15BrO — CID 66346516

IUPAC(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
SMILESCC1(C)C(Br)CC1Oc1ccccc1
InChIInChI=1S/C12H15BrO/c1-12(2)10(13)8-11(12)14-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyBOJGUOYMTHBHNQ-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.63
Rot. Bonds2

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

(3-bromo-2,2-dimethylcyclobutyl)oxybenzene (PubChem CID 66346516) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is (3-bromo-2,2-dimethylcyclobutyl)oxybenzene.

Molecular Properties

Compound Name(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
PubChem CID66346516
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
SMILESCC1(C)C(Br)CC1Oc1ccccc1
InChIInChI=1S/C12H15BrO/c1-12(2)10(13)8-11(12)14-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyBOJGUOYMTHBHNQ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The IUPAC name of (3-bromo-2,2-dimethylcyclobutyl)oxybenzene (CID 66346516) is (3-bromo-2,2-dimethylcyclobutyl)oxybenzene.
What is the SMILES notation for (3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The canonical SMILES for (3-bromo-2,2-dimethylcyclobutyl)oxybenzene is CC1(C)C(Br)CC1Oc1ccccc1.
What is the InChIKey of (3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
The InChIKey is BOJGUOYMTHBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-12(2)10(13)8-11(12)14-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3.
What are the key properties of (3-bromo-2,2-dimethylcyclobutyl)oxybenzene?
(3-bromo-2,2-dimethylcyclobutyl)oxybenzene has a molecular weight of 255.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,2-dimethylcyclobutyl)oxybenzene is sourced from PubChem (CID 66346516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).