2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene

C16H16BrClO — CID 66344217

IUPAC2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Cl)CC1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrClO/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,14-15H,9H2,1-2H3
InChIKeyDOLWQDLMWDPCIJ-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.39
Rot. Bonds2

About 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene

2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene (PubChem CID 66344217) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
PubChem CID66344217
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Cl)CC1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrClO/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,14-15H,9H2,1-2H3
InChIKeyDOLWQDLMWDPCIJ-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The IUPAC name of 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene (CID 66344217) is 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene.
What is the SMILES notation for 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The canonical SMILES for 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene is CC1(C)C(Cl)CC1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The InChIKey is DOLWQDLMWDPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene has a molecular weight of 339.66 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene is sourced from PubChem (CID 66344217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).