biphenylene;oxetane

C18H20O2 — CID 68635942

IUPACbiphenylene;oxetane
SMILESC1COC1.C1COC1.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.2C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2-4-3-1/h1-8H;2*1-3H2
InChIKeyRHJUQYUJOVKTOP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.15
Rot. Bonds

About biphenylene;oxetane

biphenylene;oxetane (PubChem CID 68635942) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is biphenylene;oxetane.

Molecular Properties

Compound Namebiphenylene;oxetane
PubChem CID68635942
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namebiphenylene;oxetane
SMILESC1COC1.C1COC1.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.2C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2-4-3-1/h1-8H;2*1-3H2
InChIKeyRHJUQYUJOVKTOP-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of biphenylene;oxetane?
The IUPAC name of biphenylene;oxetane (CID 68635942) is biphenylene;oxetane.
What is the SMILES notation for biphenylene;oxetane?
The canonical SMILES for biphenylene;oxetane is C1COC1.C1COC1.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;oxetane?
The InChIKey is RHJUQYUJOVKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.2C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2-4-3-1/h1-8H;2*1-3H2.
What are the key properties of biphenylene;oxetane?
biphenylene;oxetane has a molecular weight of 268.36 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;oxetane is sourced from PubChem (CID 68635942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).