4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene

C11H12Br2O — CID 107287256

IUPAC4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene
SMILESCc1ccc(Br)cc1OC1CC(Br)C1
InChIInChI=1S/C11H12Br2O/c1-7-2-3-8(12)6-11(7)14-10-4-9(13)5-10/h2-3,6,9-10H,4-5H2,1H3
InChIKeyCVNQJAHYPNYJNU-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.06
Rot. Bonds2

About 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene

4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene (PubChem CID 107287256) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene
PubChem CID107287256
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene
SMILESCc1ccc(Br)cc1OC1CC(Br)C1
InChIInChI=1S/C11H12Br2O/c1-7-2-3-8(12)6-11(7)14-10-4-9(13)5-10/h2-3,6,9-10H,4-5H2,1H3
InChIKeyCVNQJAHYPNYJNU-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.06
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

4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 107283955
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
4-(5-bromo-2-methylphenoxy)azepane
CID 107286395
4-bromo-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
CID 66345584
2-(3-bromocyclobutyl)oxy-1,3,4-trimethylbenzene
CID 66345968
4-bromo-2-(3-chloro-2-methoxycyclobutyl)oxy-1-methylbenzene
CID 107287257
3-(4-bromo-2-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66350042
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
CID 107284123
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene?
The IUPAC name of 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene (CID 107287256) is 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene?
The canonical SMILES for 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene is Cc1ccc(Br)cc1OC1CC(Br)C1.
What is the InChIKey of 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene?
The InChIKey is CVNQJAHYPNYJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-7-2-3-8(12)6-11(7)14-10-4-9(13)5-10/h2-3,6,9-10H,4-5H2,1H3.
What are the key properties of 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene?
4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene has a molecular weight of 320.02 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene is sourced from PubChem (CID 107287256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).