2-bromonaphtho[2,3-b][1]benzofuran

C16H9BrO — CID 90433337

IUPAC2-bromonaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C16H9BrO/c17-12-5-6-15-14(9-12)13-7-10-3-1-2-4-11(10)8-16(13)18-15/h1-9H
InChIKeySXNOGSKQBHIZHE-UHFFFAOYSA-N
MW297.15 g/mol
LogP5.50
Rot. Bonds

About 2-bromonaphtho[2,3-b][1]benzofuran

2-bromonaphtho[2,3-b][1]benzofuran (PubChem CID 90433337) has the molecular formula C16H9BrO and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-bromonaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-bromonaphtho[2,3-b][1]benzofuran
PubChem CID90433337
Molecular FormulaC16H9BrO
Molecular Weight297.15 g/mol
Exact Mass295.98
IUPAC Name2-bromonaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C16H9BrO/c17-12-5-6-15-14(9-12)13-7-10-3-1-2-4-11(10)8-16(13)18-15/h1-9H
InChIKeySXNOGSKQBHIZHE-UHFFFAOYSA-N
XLogP5.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.15
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromonaphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-bromonaphtho[2,3-b][1]benzofuran (CID 90433337) is 2-bromonaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-bromonaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-bromonaphtho[2,3-b][1]benzofuran is Brc1ccc2oc3cc4ccccc4cc3c2c1.
What is the InChIKey of 2-bromonaphtho[2,3-b][1]benzofuran?
The InChIKey is SXNOGSKQBHIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrO/c17-12-5-6-15-14(9-12)13-7-10-3-1-2-4-11(10)8-16(13)18-15/h1-9H.
What are the key properties of 2-bromonaphtho[2,3-b][1]benzofuran?
2-bromonaphtho[2,3-b][1]benzofuran has a molecular weight of 297.15 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 90433337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).