2-(6-bromonaphthalen-2-yl)oxyoxane

C15H15BrO2 — CID 3658100

IUPAC2-(6-bromonaphthalen-2-yl)oxyoxane
SMILESBrc1ccc2cc(OC3CCCCO3)ccc2c1
InChIInChI=1S/C15H15BrO2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-15-3-1-2-8-17-15/h4-7,9-10,15H,1-3,8H2
InChIKeyHQVYJZNFRLOZIB-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.51
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)oxyoxane

2-(6-bromonaphthalen-2-yl)oxyoxane (PubChem CID 3658100) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxyoxane.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxyoxane
PubChem CID3658100
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2-(6-bromonaphthalen-2-yl)oxyoxane
SMILESBrc1ccc2cc(OC3CCCCO3)ccc2c1
InChIInChI=1S/C15H15BrO2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-15-3-1-2-8-17-15/h4-7,9-10,15H,1-3,8H2
InChIKeyHQVYJZNFRLOZIB-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxyoxane?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxyoxane (CID 3658100) is 2-(6-bromonaphthalen-2-yl)oxyoxane.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxyoxane?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxyoxane is Brc1ccc2cc(OC3CCCCO3)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxyoxane?
The InChIKey is HQVYJZNFRLOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-15-3-1-2-8-17-15/h4-7,9-10,15H,1-3,8H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxyoxane?
2-(6-bromonaphthalen-2-yl)oxyoxane has a molecular weight of 307.19 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxyoxane is sourced from PubChem (CID 3658100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).