1-phenyldibenzofuran

C18H12O — CID 6425749

IUPAC1-phenyldibenzofuran
SMILESc1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H12O/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-12H
InChIKeyPABWCQBWXPHCBX-UHFFFAOYSA-N
MW244.29 g/mol
LogP5.25
Rot. Bonds1

About 1-phenyldibenzofuran

1-phenyldibenzofuran (PubChem CID 6425749) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-phenyldibenzofuran.

Molecular Properties

Compound Name1-phenyldibenzofuran
PubChem CID6425749
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name1-phenyldibenzofuran
SMILESc1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H12O/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-12H
InChIKeyPABWCQBWXPHCBX-UHFFFAOYSA-N
XLogP5.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.29
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyldibenzofuran?
The IUPAC name of 1-phenyldibenzofuran (CID 6425749) is 1-phenyldibenzofuran.
What is the SMILES notation for 1-phenyldibenzofuran?
The canonical SMILES for 1-phenyldibenzofuran is c1ccc(-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-phenyldibenzofuran?
The InChIKey is PABWCQBWXPHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c1-2-7-13(8-3-1)14-10-6-12-17-18(14)15-9-4-5-11-16(15)19-17/h1-12H.
What are the key properties of 1-phenyldibenzofuran?
1-phenyldibenzofuran has a molecular weight of 244.29 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldibenzofuran is sourced from PubChem (CID 6425749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).