spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol

C15H18O2 — CID 154062038

IUPACspiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol
SMILESOC1CC2CCC1CC21OCc2ccccc21
InChIInChI=1S/C15H18O2/c16-14-7-12-6-5-10(14)8-15(12)13-4-2-1-3-11(13)9-17-15/h1-4,10,12,14,16H,5-9H2
InChIKeyWDWCTJRYVSCSDQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds

About spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol

spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol (PubChem CID 154062038) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol
PubChem CID154062038
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namespiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol
SMILESOC1CC2CCC1CC21OCc2ccccc21
InChIInChI=1S/C15H18O2/c16-14-7-12-6-5-10(14)8-15(12)13-4-2-1-3-11(13)9-17-15/h1-4,10,12,14,16H,5-9H2
InChIKeyWDWCTJRYVSCSDQ-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol 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 spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol?
The IUPAC name of spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol (CID 154062038) is spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol.
What is the SMILES notation for spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol?
The canonical SMILES for spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol is OC1CC2CCC1CC21OCc2ccccc21.
What is the InChIKey of spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol?
The InChIKey is WDWCTJRYVSCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-14-7-12-6-5-10(14)8-15(12)13-4-2-1-3-11(13)9-17-15/h1-4,10,12,14,16H,5-9H2.
What are the key properties of spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol?
spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol has a molecular weight of 230.31 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol is sourced from PubChem (CID 154062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).