2-bromo-3,4-diphenylfuran

C16H11BrO — CID 141482587

IUPAC2-bromo-3,4-diphenylfuran
SMILESBrc1occ(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H11BrO/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-11H
InChIKeyNYDPRFWWKYUVFP-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.38
Rot. Bonds2

About 2-bromo-3,4-diphenylfuran

2-bromo-3,4-diphenylfuran (PubChem CID 141482587) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-bromo-3,4-diphenylfuran.

Molecular Properties

Compound Name2-bromo-3,4-diphenylfuran
PubChem CID141482587
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name2-bromo-3,4-diphenylfuran
SMILESBrc1occ(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H11BrO/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-11H
InChIKeyNYDPRFWWKYUVFP-UHFFFAOYSA-N
XLogP5.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.17
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-diphenylfuran?
The IUPAC name of 2-bromo-3,4-diphenylfuran (CID 141482587) is 2-bromo-3,4-diphenylfuran.
What is the SMILES notation for 2-bromo-3,4-diphenylfuran?
The canonical SMILES for 2-bromo-3,4-diphenylfuran is Brc1occ(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-bromo-3,4-diphenylfuran?
The InChIKey is NYDPRFWWKYUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2-bromo-3,4-diphenylfuran?
2-bromo-3,4-diphenylfuran has a molecular weight of 299.17 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-diphenylfuran is sourced from PubChem (CID 141482587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).