1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene

C16H23BrO — CID 66344287

IUPAC1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene
SMILESCCc1ccccc1OC1CC(Br)C1(CC)CC
InChIInChI=1S/C16H23BrO/c1-4-12-9-7-8-10-13(12)18-15-11-14(17)16(15,5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyNVBBOVQTSVQUNL-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.97
Rot. Bonds5

About 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene

1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene (PubChem CID 66344287) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene.

Molecular Properties

Compound Name1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene
PubChem CID66344287
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene
SMILESCCc1ccccc1OC1CC(Br)C1(CC)CC
InChIInChI=1S/C16H23BrO/c1-4-12-9-7-8-10-13(12)18-15-11-14(17)16(15,5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyNVBBOVQTSVQUNL-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.97
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-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
CID 66345059
3-bromo-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66344082
2,2-diethyl-3-(2-ethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358462
1-(3-bromocyclobutyl)oxy-2-ethylbenzene
CID 66344081
2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
CID 66345277
8-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylquinoline
CID 66343452
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one
CID 66368471
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-tert-butyl-2-methylbenzene
CID 66344495
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-fluoro-2-nitrobenzene
CID 66343915
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene?
The IUPAC name of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene (CID 66344287) is 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene.
What is the SMILES notation for 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene?
The canonical SMILES for 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene is CCc1ccccc1OC1CC(Br)C1(CC)CC.
What is the InChIKey of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene?
The InChIKey is NVBBOVQTSVQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-4-12-9-7-8-10-13(12)18-15-11-14(17)16(15,5-2)6-3/h7-10,14-15H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene?
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene has a molecular weight of 311.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene is sourced from PubChem (CID 66344287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).