1,2,3,4,4a,5a,6,7-octahydrodibenzofuran

C12H16O — CID 57346130

IUPAC1,2,3,4,4a,5a,6,7-octahydrodibenzofuran
SMILESC1=CC2=C3CCCCC3OC2CC1
InChIInChI=1S/C12H16O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,11-12H,2-4,6-8H2
InChIKeyXYNFCXHYLIVEFK-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.97
Rot. Bonds

About 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran

1,2,3,4,4a,5a,6,7-octahydrodibenzofuran (PubChem CID 57346130) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran.

Molecular Properties

Compound Name1,2,3,4,4a,5a,6,7-octahydrodibenzofuran
PubChem CID57346130
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,2,3,4,4a,5a,6,7-octahydrodibenzofuran
SMILESC1=CC2=C3CCCCC3OC2CC1
InChIInChI=1S/C12H16O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,11-12H,2-4,6-8H2
InChIKeyXYNFCXHYLIVEFK-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran 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 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran?
The IUPAC name of 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran (CID 57346130) is 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran.
What is the SMILES notation for 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran?
The canonical SMILES for 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran is C1=CC2=C3CCCCC3OC2CC1.
What is the InChIKey of 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran?
The InChIKey is XYNFCXHYLIVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,5,11-12H,2-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran?
1,2,3,4,4a,5a,6,7-octahydrodibenzofuran has a molecular weight of 176.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5a,6,7-octahydrodibenzofuran is sourced from PubChem (CID 57346130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).