5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran

C14H16BrClO — CID 104543463

IUPAC5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1cc(Br)cc2c1OCC2)C1CCCC1
InChIInChI=1S/C14H16BrClO/c15-11-7-10-5-6-17-14(10)12(8-11)13(16)9-3-1-2-4-9/h7-9,13H,1-6H2
InChIKeyORDTXGRVSVZAGN-UHFFFAOYSA-N
MW315.64 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543463) has the molecular formula C14H16BrClO and a molecular weight of 315.64 g/mol. Its IUPAC name is 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543463
Molecular FormulaC14H16BrClO
Molecular Weight315.64 g/mol
Exact Mass314.01
IUPAC Name5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1cc(Br)cc2c1OCC2)C1CCCC1
InChIInChI=1S/C14H16BrClO/c15-11-7-10-5-6-17-14(10)12(8-11)13(16)9-3-1-2-4-9/h7-9,13H,1-6H2
InChIKeyORDTXGRVSVZAGN-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.64
LogP ≤ 54.85
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-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397
5-bromo-7-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543388
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-(1-chloro-2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 104543460
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
CID 113425227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543463) is 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1cc(Br)cc2c1OCC2)C1CCCC1.
What is the InChIKey of 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ORDTXGRVSVZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClO/c15-11-7-10-5-6-17-14(10)12(8-11)13(16)9-3-1-2-4-9/h7-9,13H,1-6H2.
What are the key properties of 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 315.64 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).