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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Related Compounds

8-bromo-2,3-dihydro-1H-dibenzofuran-4-one
CID 10730368
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
6-bromo-1,2-dihydrodibenzofuran
CID 121420689
8-bromo-3,4-dihydro-[1]benzofuro[3,2-c]quinoline
CID 166798326
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]
CID 155257133
8-bromodibenzofuran-2-carbaldehyde
CID 23559412
2-bromo-8-deuteriodibenzofuran
CID 164823115
10-amino-17-bromo-13-oxa-9-azoniatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,14(19),15,17-hexaen-12-one
CID 2228435
6-bromo-1,2-dihydrotriphenylene
CID 144751099
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one
CID 12952273

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).