1,9a-dihydrobenzo[f][2]benzofuran

C12H10O — CID 22463394

IUPAC1,9a-dihydrobenzo[f][2]benzofuran
SMILESC1=C2C=c3ccccc3=CC2CO1
InChIInChI=1S/C12H10O/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1/h1-7,12H,8H2
InChIKeyTUZLDMGPYHYBEW-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.79
Rot. Bonds

About 1,9a-dihydrobenzo[f][2]benzofuran

1,9a-dihydrobenzo[f][2]benzofuran (PubChem CID 22463394) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,9a-dihydrobenzo[f][2]benzofuran.

Molecular Properties

Compound Name1,9a-dihydrobenzo[f][2]benzofuran
PubChem CID22463394
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1,9a-dihydrobenzo[f][2]benzofuran
SMILESC1=C2C=c3ccccc3=CC2CO1
InChIInChI=1S/C12H10O/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1/h1-7,12H,8H2
InChIKeyTUZLDMGPYHYBEW-UHFFFAOYSA-N
XLogP0.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,9a-dihydrobenzo[f][2]benzofuran?
The IUPAC name of 1,9a-dihydrobenzo[f][2]benzofuran (CID 22463394) is 1,9a-dihydrobenzo[f][2]benzofuran.
What is the SMILES notation for 1,9a-dihydrobenzo[f][2]benzofuran?
The canonical SMILES for 1,9a-dihydrobenzo[f][2]benzofuran is C1=C2C=c3ccccc3=CC2CO1.
What is the InChIKey of 1,9a-dihydrobenzo[f][2]benzofuran?
The InChIKey is TUZLDMGPYHYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1/h1-7,12H,8H2.
What are the key properties of 1,9a-dihydrobenzo[f][2]benzofuran?
1,9a-dihydrobenzo[f][2]benzofuran has a molecular weight of 170.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9a-dihydrobenzo[f][2]benzofuran is sourced from PubChem (CID 22463394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).