7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran

C15H19BrO — CID 114746748

IUPAC7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
SMILESBrC1CCCCCC1c1cccc2c1OCC2
InChIInChI=1S/C15H19BrO/c16-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-17-15(11)13/h4-5,7,12,14H,1-3,6,8-10H2
InChIKeyOIPGCEUXPIMDMA-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.43
Rot. Bonds1

About 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran

7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran (PubChem CID 114746748) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
PubChem CID114746748
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
SMILESBrC1CCCCCC1c1cccc2c1OCC2
InChIInChI=1S/C15H19BrO/c16-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-17-15(11)13/h4-5,7,12,14H,1-3,6,8-10H2
InChIKeyOIPGCEUXPIMDMA-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
CID 114747092
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
2-(2,3-dihydro-1-benzofuran-7-yl)-6-(trifluoromethyl)piperidine
CID 106781651
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran (CID 114746748) is 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran is BrC1CCCCCC1c1cccc2c1OCC2.
What is the InChIKey of 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The InChIKey is OIPGCEUXPIMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c16-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-17-15(11)13/h4-5,7,12,14H,1-3,6,8-10H2.
What are the key properties of 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran has a molecular weight of 295.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 114746748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).