2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane

C16H17BrO2 — CID 15701095

IUPAC2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
SMILESCc1c(OC2CCCCO2)ccc2cc(Br)ccc12
InChIInChI=1S/C16H17BrO2/c1-11-14-7-6-13(17)10-12(14)5-8-15(11)19-16-4-2-3-9-18-16/h5-8,10,16H,2-4,9H2,1H3
InChIKeyYBVFGNQWFCJEAL-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.82
Rot. Bonds2

About 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane

2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane (PubChem CID 15701095) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane.

Molecular Properties

Compound Name2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
PubChem CID15701095
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
SMILESCc1c(OC2CCCCO2)ccc2cc(Br)ccc12
InChIInChI=1S/C16H17BrO2/c1-11-14-7-6-13(17)10-12(14)5-8-15(11)19-16-4-2-3-9-18-16/h5-8,10,16H,2-4,9H2,1H3
InChIKeyYBVFGNQWFCJEAL-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane 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 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane?
The IUPAC name of 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane (CID 15701095) is 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane.
What is the SMILES notation for 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane?
The canonical SMILES for 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane is Cc1c(OC2CCCCO2)ccc2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane?
The InChIKey is YBVFGNQWFCJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-14-7-6-13(17)10-12(14)5-8-15(11)19-16-4-2-3-9-18-16/h5-8,10,16H,2-4,9H2,1H3.
What are the key properties of 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane?
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane has a molecular weight of 321.21 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane is sourced from PubChem (CID 15701095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).