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

C13H16Br2O2 — CID 104675645

IUPAC2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
SMILESCCOC1C(Br)CC1Oc1ccc(C)cc1Br
InChIInChI=1S/C13H16Br2O2/c1-3-16-13-10(15)7-12(13)17-11-5-4-8(2)6-9(11)14/h4-6,10,12-13H,3,7H2,1-2H3
InChIKeyWCQIFOGVCJSKDP-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.08
Rot. Bonds4

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

2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene (PubChem CID 104675645) has the molecular formula C13H16Br2O2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
PubChem CID104675645
Molecular FormulaC13H16Br2O2
Molecular Weight364.08 g/mol
Exact Mass361.95
IUPAC Name2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
SMILESCCOC1C(Br)CC1Oc1ccc(C)cc1Br
InChIInChI=1S/C13H16Br2O2/c1-3-16-13-10(15)7-12(13)17-11-5-4-8(2)6-9(11)14/h4-6,10,12-13H,3,7H2,1-2H3
InChIKeyWCQIFOGVCJSKDP-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 107943085
1-(3-bromo-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276832
3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine
CID 103176155
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,4-dichlorobenzene
CID 104675489
1-(3-bromo-2-ethoxycyclobutyl)oxy-2-fluoro-4-nitrobenzene
CID 113439946
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
CID 104675482
1-(3-bromo-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675687
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
3-(2-tert-butyl-5-methylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104676300
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
CID 66345947
2-(3-bromo-2-methoxycyclobutyl)oxy-1-chloro-4-methylbenzene
CID 104673990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene?
The IUPAC name of 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene (CID 104675645) is 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene?
The canonical SMILES for 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene is CCOC1C(Br)CC1Oc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene?
The InChIKey is WCQIFOGVCJSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O2/c1-3-16-13-10(15)7-12(13)17-11-5-4-8(2)6-9(11)14/h4-6,10,12-13H,3,7H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene?
2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene has a molecular weight of 364.08 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene is sourced from PubChem (CID 104675645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).