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

C13H16BrClO — CID 104544047

IUPAC7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
SMILESCCC(C)C(Br)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H16BrClO/c1-3-8(2)12(14)11-7-10(15)6-9-4-5-16-13(9)11/h6-8,12H,3-5H2,1-2H3
InChIKeyRWGLFIVZTBKLSR-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.76
Rot. Bonds3

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

7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 104544047) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID104544047
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
SMILESCCC(C)C(Br)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H16BrClO/c1-3-8(2)12(14)11-7-10(15)6-9-4-5-16-13(9)11/h6-8,12H,3-5H2,1-2H3
InChIKeyRWGLFIVZTBKLSR-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.76
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

7-(1-bromo-2-methylpentyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544057
7-(1-bromo-2-phenylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543945
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
7-(1-bromooctyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543944
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
CID 113425467
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-N-propylpentan-1-amine
CID 104545712
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
7-[bromo-(2-methyloxolan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425259

Frequently Asked Questions

What is the IUPAC name of 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran (CID 104544047) is 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran is CCC(C)C(Br)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is RWGLFIVZTBKLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c1-3-8(2)12(14)11-7-10(15)6-9-4-5-16-13(9)11/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran?
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 303.63 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104544047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).