7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran

C14H19BrO — CID 114747068

IUPAC7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
SMILESCC(C)C(Br)CCc1cccc2c1OCC2
InChIInChI=1S/C14H19BrO/c1-10(2)13(15)7-6-11-4-3-5-12-8-9-16-14(11)12/h3-5,10,13H,6-9H2,1-2H3
InChIKeyJASDRUPCEXKEIM-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.97
Rot. Bonds4

About 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran

7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran (PubChem CID 114747068) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
PubChem CID114747068
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
SMILESCC(C)C(Br)CCc1cccc2c1OCC2
InChIInChI=1S/C14H19BrO/c1-10(2)13(15)7-6-11-4-3-5-12-8-9-16-14(11)12/h3-5,10,13H,6-9H2,1-2H3
InChIKeyJASDRUPCEXKEIM-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.97
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

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
CID 177208791

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran (CID 114747068) is 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran is CC(C)C(Br)CCc1cccc2c1OCC2.
What is the InChIKey of 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran?
The InChIKey is JASDRUPCEXKEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10(2)13(15)7-6-11-4-3-5-12-8-9-16-14(11)12/h3-5,10,13H,6-9H2,1-2H3.
What are the key properties of 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran?
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran has a molecular weight of 283.21 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 114747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).