4-bromo-6-phenyldibenzofuran

C18H11BrO — CID 90263903

IUPAC4-bromo-6-phenyldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C18H11BrO/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12/h1-11H
InChIKeyMPSDYLBAJCSIMR-UHFFFAOYSA-N
MW323.19 g/mol
LogP6.02
Rot. Bonds1

About 4-bromo-6-phenyldibenzofuran

4-bromo-6-phenyldibenzofuran (PubChem CID 90263903) has the molecular formula C18H11BrO and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-6-phenyldibenzofuran.

Molecular Properties

Compound Name4-bromo-6-phenyldibenzofuran
PubChem CID90263903
Molecular FormulaC18H11BrO
Molecular Weight323.19 g/mol
Exact Mass322.00
IUPAC Name4-bromo-6-phenyldibenzofuran
SMILESBrc1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C18H11BrO/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12/h1-11H
InChIKeyMPSDYLBAJCSIMR-UHFFFAOYSA-N
XLogP6.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.19
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenyldibenzofuran?
The IUPAC name of 4-bromo-6-phenyldibenzofuran (CID 90263903) is 4-bromo-6-phenyldibenzofuran.
What is the SMILES notation for 4-bromo-6-phenyldibenzofuran?
The canonical SMILES for 4-bromo-6-phenyldibenzofuran is Brc1cccc2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 4-bromo-6-phenyldibenzofuran?
The InChIKey is MPSDYLBAJCSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 4-bromo-6-phenyldibenzofuran?
4-bromo-6-phenyldibenzofuran has a molecular weight of 323.19 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenyldibenzofuran is sourced from PubChem (CID 90263903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).