biphenylene;2-methoxyethanol

C15H16O2 — CID 69005385

IUPACbiphenylene;2-methoxyethanol
SMILESCOCCO.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H8O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-5-3-2-4/h1-8H;4H,2-3H2,1H3
InChIKeyQAGQXXUCFKTQEB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds2

About biphenylene;2-methoxyethanol

biphenylene;2-methoxyethanol (PubChem CID 69005385) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is biphenylene;2-methoxyethanol.

Molecular Properties

Compound Namebiphenylene;2-methoxyethanol
PubChem CID69005385
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namebiphenylene;2-methoxyethanol
SMILESCOCCO.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H8O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-5-3-2-4/h1-8H;4H,2-3H2,1H3
InChIKeyQAGQXXUCFKTQEB-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze biphenylene;2-methoxyethanol 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 biphenylene;2-methoxyethanol?
The IUPAC name of biphenylene;2-methoxyethanol (CID 69005385) is biphenylene;2-methoxyethanol.
What is the SMILES notation for biphenylene;2-methoxyethanol?
The canonical SMILES for biphenylene;2-methoxyethanol is COCCO.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;2-methoxyethanol?
The InChIKey is QAGQXXUCFKTQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C3H8O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-5-3-2-4/h1-8H;4H,2-3H2,1H3.
What are the key properties of biphenylene;2-methoxyethanol?
biphenylene;2-methoxyethanol has a molecular weight of 228.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;2-methoxyethanol is sourced from PubChem (CID 69005385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).