5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran

C16H11BrO — CID 152782774

IUPAC5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran
SMILESBrC1=CC2=C3C=CC=CC3OC2=C2C=CC=CC12
InChIInChI=1S/C16H11BrO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-10,15H
InChIKeyJLZSYUKGNBQAAA-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.10
Rot. Bonds

About 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran

5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 152782774) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID152782774
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran
SMILESBrC1=CC2=C3C=CC=CC3OC2=C2C=CC=CC12
InChIInChI=1S/C16H11BrO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-10,15H
InChIKeyJLZSYUKGNBQAAA-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-sulfanyl-7aH-2-benzofuran-1-one
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sodium 2-(4aH-benzo[c]chromen-6-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran (CID 152782774) is 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran is BrC1=CC2=C3C=CC=CC3OC2=C2C=CC=CC12.
What is the InChIKey of 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is JLZSYUKGNBQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-10,15H.
What are the key properties of 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran?
5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 299.17 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4a,10a-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 152782774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).