biphenylene;ethoxyethane

C16H18O — CID 66702498

IUPACbiphenylene;ethoxyethane
SMILESCCOCC.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C4H10O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3-5-4-2/h1-8H;3-4H2,1-2H3
InChIKeyXEALCHWLPOSCQD-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.38
Rot. Bonds2

About biphenylene;ethoxyethane

biphenylene;ethoxyethane (PubChem CID 66702498) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is biphenylene;ethoxyethane.

Molecular Properties

Compound Namebiphenylene;ethoxyethane
PubChem CID66702498
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Namebiphenylene;ethoxyethane
SMILESCCOCC.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C4H10O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3-5-4-2/h1-8H;3-4H2,1-2H3
InChIKeyXEALCHWLPOSCQD-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of biphenylene;ethoxyethane?
The IUPAC name of biphenylene;ethoxyethane (CID 66702498) is biphenylene;ethoxyethane.
What is the SMILES notation for biphenylene;ethoxyethane?
The canonical SMILES for biphenylene;ethoxyethane is CCOCC.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;ethoxyethane?
The InChIKey is XEALCHWLPOSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C4H10O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3-5-4-2/h1-8H;3-4H2,1-2H3.
What are the key properties of biphenylene;ethoxyethane?
biphenylene;ethoxyethane has a molecular weight of 226.32 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;ethoxyethane is sourced from PubChem (CID 66702498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).