2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene

C14H18BrClO — CID 66345947

IUPAC2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc(C)cc1Br
InChIInChI=1S/C14H18BrClO/c1-4-14(3)12(16)8-13(14)17-11-6-5-9(2)7-10(11)15/h5-7,12-13H,4,8H2,1-3H3
InChIKeyXSJWHXZTGRMNBA-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.93
Rot. Bonds3

About 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene

2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene (PubChem CID 66345947) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
PubChem CID66345947
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc(C)cc1Br
InChIInChI=1S/C14H18BrClO/c1-4-14(3)12(16)8-13(14)17-11-6-5-9(2)7-10(11)15/h5-7,12-13H,4,8H2,1-3H3
InChIKeyXSJWHXZTGRMNBA-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.93
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

1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
CID 116691092
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
CID 104675645
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
1-(2-bromo-4-methoxyphenoxy)-3-chlorospiro[3.5]nonane
CID 104708695
2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
CID 126974013
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
CID 66346019
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
2-(3-chloro-2,2-dimethylcyclobutyl)oxy-1-fluoro-4-methylbenzene
CID 66344341

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene?
The IUPAC name of 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene (CID 66345947) is 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene?
The canonical SMILES for 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene is CCC1(C)C(Cl)CC1Oc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene?
The InChIKey is XSJWHXZTGRMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c1-4-14(3)12(16)8-13(14)17-11-6-5-9(2)7-10(11)15/h5-7,12-13H,4,8H2,1-3H3.
What are the key properties of 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene?
2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene has a molecular weight of 317.65 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene is sourced from PubChem (CID 66345947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).