5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran

C15H18BrClO — CID 104543397

IUPAC5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
SMILESClC(CC1CCCC1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrClO/c16-12-8-11-5-6-18-15(11)13(9-12)14(17)7-10-3-1-2-4-10/h8-10,14H,1-7H2
InChIKeyICPHKPCYHHQCEW-UHFFFAOYSA-N
MW329.67 g/mol
LogP5.24
Rot. Bonds3

About 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran

5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 104543397) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
PubChem CID104543397
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
SMILESClC(CC1CCCC1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrClO/c16-12-8-11-5-6-18-15(11)13(9-12)14(17)7-10-3-1-2-4-10/h8-10,14H,1-7H2
InChIKeyICPHKPCYHHQCEW-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.67
LogP ≤ 55.24
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-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543463
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
5-bromo-7-(1-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114212886
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
5-bromo-7-(1-chlorooctyl)-2,3-dihydro-1-benzofuran
CID 104543327
5-bromo-7-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543388
5-bromo-7-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 104543474

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran (CID 104543397) is 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran is ClC(CC1CCCC1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is ICPHKPCYHHQCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c16-12-8-11-5-6-18-15(11)13(9-12)14(17)7-10-3-1-2-4-10/h8-10,14H,1-7H2.
What are the key properties of 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran?
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 329.67 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).