8-methoxy-2,3,4,4a-tetrahydrodibenzofuran

C13H14O2 — CID 132551852

IUPAC8-methoxy-2,3,4,4a-tetrahydrodibenzofuran
SMILESCOc1ccc2c(c1)C1=CCCCC1O2
InChIInChI=1S/C13H14O2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h4,6-8,12H,2-3,5H2,1H3
InChIKeyJEYOKVXMKOQRMT-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.02
Rot. Bonds1

About 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran

8-methoxy-2,3,4,4a-tetrahydrodibenzofuran (PubChem CID 132551852) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran.

Molecular Properties

Compound Name8-methoxy-2,3,4,4a-tetrahydrodibenzofuran
PubChem CID132551852
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name8-methoxy-2,3,4,4a-tetrahydrodibenzofuran
SMILESCOc1ccc2c(c1)C1=CCCCC1O2
InChIInChI=1S/C13H14O2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h4,6-8,12H,2-3,5H2,1H3
InChIKeyJEYOKVXMKOQRMT-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran?
The IUPAC name of 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran (CID 132551852) is 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran.
What is the SMILES notation for 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran?
The canonical SMILES for 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran is COc1ccc2c(c1)C1=CCCCC1O2.
What is the InChIKey of 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran?
The InChIKey is JEYOKVXMKOQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h4,6-8,12H,2-3,5H2,1H3.
What are the key properties of 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran?
8-methoxy-2,3,4,4a-tetrahydrodibenzofuran has a molecular weight of 202.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,4a-tetrahydrodibenzofuran is sourced from PubChem (CID 132551852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).