2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran

C15H20Br2O — CID 79456341

IUPAC2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
SMILESCCCC(CBr)(CBr)CC1Cc2ccccc2O1
InChIInChI=1S/C15H20Br2O/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13H,2,7-11H2,1H3
InChIKeyITJQRBJJJQVJLD-UHFFFAOYSA-N
MW376.13 g/mol
LogP4.96
Rot. Bonds6

About 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran

2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran (PubChem CID 79456341) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
PubChem CID79456341
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
SMILESCCCC(CBr)(CBr)CC1Cc2ccccc2O1
InChIInChI=1S/C15H20Br2O/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13H,2,7-11H2,1H3
InChIKeyITJQRBJJJQVJLD-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 54.96
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

2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
2-[2,2-bis(bromomethyl)butyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 79455391
ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
CID 132821328
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
CID 114169479
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159219
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran (CID 79456341) is 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran is CCCC(CBr)(CBr)CC1Cc2ccccc2O1.
What is the InChIKey of 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ITJQRBJJJQVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran?
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran has a molecular weight of 376.13 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79456341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).