2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran

C10H10O2 — CID 68729379

IUPAC2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran
SMILESC1=c2occc2=C2OCCC2C1
InChIInChI=1S/C10H10O2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h2,4,6-7H,1,3,5H2
InChIKeyVOCIDCRQVWWXDF-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.61
Rot. Bonds

About 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran

2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran (PubChem CID 68729379) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran.

Molecular Properties

Compound Name2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran
PubChem CID68729379
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran
SMILESC1=c2occc2=C2OCCC2C1
InChIInChI=1S/C10H10O2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h2,4,6-7H,1,3,5H2
InChIKeyVOCIDCRQVWWXDF-UHFFFAOYSA-N
XLogP0.61
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran?
The IUPAC name of 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran (CID 68729379) is 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran.
What is the SMILES notation for 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran?
The canonical SMILES for 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran is C1=c2occc2=C2OCCC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran?
The InChIKey is VOCIDCRQVWWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h2,4,6-7H,1,3,5H2.
What are the key properties of 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran?
2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran has a molecular weight of 162.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydrofuro[2,3-e][1]benzofuran is sourced from PubChem (CID 68729379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).