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

C15H21BrO — CID 66345059

IUPAC1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
SMILESCCC1(CC)C(Br)CC1Oc1ccccc1C
InChIInChI=1S/C15H21BrO/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14H,4-5,10H2,1-3H3
InChIKeySOXGYIKHXYRUOU-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.72
Rot. Bonds4

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

1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene (PubChem CID 66345059) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene.

Molecular Properties

Compound Name1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
PubChem CID66345059
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
SMILESCCC1(CC)C(Br)CC1Oc1ccccc1C
InChIInChI=1S/C15H21BrO/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14H,4-5,10H2,1-3H3
InChIKeySOXGYIKHXYRUOU-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.72
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

2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-tert-butyl-2-methylbenzene
CID 66344495
8-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylquinoline
CID 66343452
2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
CID 66345277
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-fluoro-2-nitrobenzene
CID 66343915
1-(2,2-difluorocyclopropyl)oxy-2-methylbenzene
CID 121234773
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
4-bromo-1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-nitrobenzene
CID 66344134
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-methylbenzene
CID 66344846
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
1-(3-bromo-2,2-dimethylcyclobutyl)oxy-2-fluoro-3-methylbenzene
CID 107662300
3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66356904

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene?
The IUPAC name of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene (CID 66345059) is 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene.
What is the SMILES notation for 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene?
The canonical SMILES for 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene is CCC1(CC)C(Br)CC1Oc1ccccc1C.
What is the InChIKey of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene?
The InChIKey is SOXGYIKHXYRUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene?
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene has a molecular weight of 297.24 g/mol, XLogP of 4.72, 4 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-methylbenzene is sourced from PubChem (CID 66345059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).