3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one

C16H15BrO2 — CID 66366182

IUPAC3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrO2/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,15H,9H2,1-2H3
InChIKeyJNTNDUFWTWHOGF-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.35
Rot. Bonds2

About 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one

3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one (PubChem CID 66366182) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one
PubChem CID66366182
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrO2/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,15H,9H2,1-2H3
InChIKeyJNTNDUFWTWHOGF-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one (CID 66366182) is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one is CC1(C)C(=O)CC1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one?
The InChIKey is JNTNDUFWTWHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-16(2)14(18)9-15(16)19-13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8,15H,9H2,1-2H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one?
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66366182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).