2-(2-bromooctyl)-2,3-dihydro-1-benzofuran

C16H23BrO — CID 18934310

IUPAC2-(2-bromooctyl)-2,3-dihydro-1-benzofuran
SMILESCCCCCCC(Br)CC1Cc2ccccc2O1
InChIInChI=1S/C16H23BrO/c1-2-3-4-5-9-14(17)12-15-11-13-8-6-7-10-16(13)18-15/h6-8,10,14-15H,2-5,9,11-12H2,1H3
InChIKeyZXFGEMRTOYLREC-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.11
Rot. Bonds7

About 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran

2-(2-bromooctyl)-2,3-dihydro-1-benzofuran (PubChem CID 18934310) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(2-bromooctyl)-2,3-dihydro-1-benzofuran
PubChem CID18934310
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name2-(2-bromooctyl)-2,3-dihydro-1-benzofuran
SMILESCCCCCCC(Br)CC1Cc2ccccc2O1
InChIInChI=1S/C16H23BrO/c1-2-3-4-5-9-14(17)12-15-11-13-8-6-7-10-16(13)18-15/h6-8,10,14-15H,2-5,9,11-12H2,1H3
InChIKeyZXFGEMRTOYLREC-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
11-undecyl-5H-benzo[d][1,3]benzodioxocine
CID 102512718
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran (CID 18934310) is 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran is CCCCCCC(Br)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran?
The InChIKey is ZXFGEMRTOYLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-2-3-4-5-9-14(17)12-15-11-13-8-6-7-10-16(13)18-15/h6-8,10,14-15H,2-5,9,11-12H2,1H3.
What are the key properties of 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran?
2-(2-bromooctyl)-2,3-dihydro-1-benzofuran has a molecular weight of 311.26 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromooctyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 18934310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).