2,3,6,7-tetrahydrodibenzofuran

C12H12O — CID 170399805

IUPAC2,3,6,7-tetrahydrodibenzofuran
SMILESC1=Cc2c(oc3c2=CCCC=3)CC1
InChIInChI=1S/C12H12O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5-6,8H,2-4,7H2
InChIKeyZPVLIBFIBMRSNM-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.59
Rot. Bonds

About 2,3,6,7-tetrahydrodibenzofuran

2,3,6,7-tetrahydrodibenzofuran (PubChem CID 170399805) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,6,7-tetrahydrodibenzofuran.

Molecular Properties

Compound Name2,3,6,7-tetrahydrodibenzofuran
PubChem CID170399805
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2,3,6,7-tetrahydrodibenzofuran
SMILESC1=Cc2c(oc3c2=CCCC=3)CC1
InChIInChI=1S/C12H12O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5-6,8H,2-4,7H2
InChIKeyZPVLIBFIBMRSNM-UHFFFAOYSA-N
XLogP1.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydrodibenzofuran?
The IUPAC name of 2,3,6,7-tetrahydrodibenzofuran (CID 170399805) is 2,3,6,7-tetrahydrodibenzofuran.
What is the SMILES notation for 2,3,6,7-tetrahydrodibenzofuran?
The canonical SMILES for 2,3,6,7-tetrahydrodibenzofuran is C1=Cc2c(oc3c2=CCCC=3)CC1.
What is the InChIKey of 2,3,6,7-tetrahydrodibenzofuran?
The InChIKey is ZPVLIBFIBMRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5-6,8H,2-4,7H2.
What are the key properties of 2,3,6,7-tetrahydrodibenzofuran?
2,3,6,7-tetrahydrodibenzofuran has a molecular weight of 172.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydrodibenzofuran is sourced from PubChem (CID 170399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).