2-deuteriodibenzofuran

C12H8O — CID 90735776

IUPAC2-deuteriodibenzofuran
SMILES[2H]c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/i1D
InChIKeyTXCDCPKCNAJMEE-MICDWDOJSA-N
MW169.20 g/mol
LogP3.59
Rot. Bonds

About 2-deuteriodibenzofuran

2-deuteriodibenzofuran (PubChem CID 90735776) has the molecular formula C12H8O and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-deuteriodibenzofuran.

Molecular Properties

Compound Name2-deuteriodibenzofuran
PubChem CID90735776
Molecular FormulaC12H8O
Molecular Weight169.20 g/mol
Exact Mass169.06
IUPAC Name2-deuteriodibenzofuran
SMILES[2H]c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/i1D
InChIKeyTXCDCPKCNAJMEE-MICDWDOJSA-N
XLogP3.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriodibenzofuran?
The IUPAC name of 2-deuteriodibenzofuran (CID 90735776) is 2-deuteriodibenzofuran.
What is the SMILES notation for 2-deuteriodibenzofuran?
The canonical SMILES for 2-deuteriodibenzofuran is [2H]c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-deuteriodibenzofuran?
The InChIKey is TXCDCPKCNAJMEE-MICDWDOJSA-N. The full InChI is InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/i1D.
What are the key properties of 2-deuteriodibenzofuran?
2-deuteriodibenzofuran has a molecular weight of 169.20 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriodibenzofuran is sourced from PubChem (CID 90735776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).