5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran

C15H19BrO — CID 104544406

IUPAC5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
SMILESBrC1CCCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H19BrO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14H,1-4,7-8,10H2
InChIKeyPSOSOVMCFZFGFF-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.43
Rot. Bonds1

About 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran

5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran (PubChem CID 104544406) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
PubChem CID104544406
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
SMILESBrC1CCCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H19BrO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14H,1-4,7-8,10H2
InChIKeyPSOSOVMCFZFGFF-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

5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde
CID 90752035
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran (CID 104544406) is 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran is BrC1CCCCC(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
The InChIKey is PSOSOVMCFZFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14H,1-4,7-8,10H2.
What are the key properties of 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran?
5-(3-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 5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104544406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).