2,2'-spirobi[4H-1-benzofuran]

C15H12O2 — CID 19853412

IUPAC2,2'-spirobi[4H-1-benzofuran]
SMILESC1=CCC2=CC3(C=C4CC=CC=C4O3)OC2=C1
InChIInChI=1S/C15H12O2/c1-3-7-13-11(5-1)9-15(16-13)10-12-6-2-4-8-14(12)17-15/h1-4,7-10H,5-6H2
InChIKeyTVNCDLOQMKXBIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.28
Rot. Bonds

About 2,2'-spirobi[4H-1-benzofuran]

2,2'-spirobi[4H-1-benzofuran] (PubChem CID 19853412) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2'-spirobi[4H-1-benzofuran].

Molecular Properties

Compound Name2,2'-spirobi[4H-1-benzofuran]
PubChem CID19853412
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2,2'-spirobi[4H-1-benzofuran]
SMILESC1=CCC2=CC3(C=C4CC=CC=C4O3)OC2=C1
InChIInChI=1S/C15H12O2/c1-3-7-13-11(5-1)9-15(16-13)10-12-6-2-4-8-14(12)17-15/h1-4,7-10H,5-6H2
InChIKeyTVNCDLOQMKXBIH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2'-spirobi[4H-1-benzofuran]?
The IUPAC name of 2,2'-spirobi[4H-1-benzofuran] (CID 19853412) is 2,2'-spirobi[4H-1-benzofuran].
What is the SMILES notation for 2,2'-spirobi[4H-1-benzofuran]?
The canonical SMILES for 2,2'-spirobi[4H-1-benzofuran] is C1=CCC2=CC3(C=C4CC=CC=C4O3)OC2=C1.
What is the InChIKey of 2,2'-spirobi[4H-1-benzofuran]?
The InChIKey is TVNCDLOQMKXBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-7-13-11(5-1)9-15(16-13)10-12-6-2-4-8-14(12)17-15/h1-4,7-10H,5-6H2.
What are the key properties of 2,2'-spirobi[4H-1-benzofuran]?
2,2'-spirobi[4H-1-benzofuran] has a molecular weight of 224.26 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[4H-1-benzofuran] is sourced from PubChem (CID 19853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).