2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran

C13H11BrO — CID 134504475

IUPAC2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran
SMILESBrc1ccc2oc3c(c2c1)CCCC=C3
InChIInChI=1S/C13H11BrO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h3,5-8H,1-2,4H2
InChIKeyNVTZGPVHURJHEG-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.54
Rot. Bonds

About 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran

2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran (PubChem CID 134504475) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran
PubChem CID134504475
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran
SMILESBrc1ccc2oc3c(c2c1)CCCC=C3
InChIInChI=1S/C13H11BrO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h3,5-8H,1-2,4H2
InChIKeyNVTZGPVHURJHEG-UHFFFAOYSA-N
XLogP4.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran?
The IUPAC name of 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran (CID 134504475) is 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran?
The canonical SMILES for 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran is Brc1ccc2oc3c(c2c1)CCCC=C3.
What is the InChIKey of 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran?
The InChIKey is NVTZGPVHURJHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h3,5-8H,1-2,4H2.
What are the key properties of 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran?
2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran has a molecular weight of 263.13 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-dihydro-8H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 134504475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).