5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran

C15H21BrO — CID 55199936

IUPAC5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCCC(C)C(Br)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H21BrO/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyGOHWFDZUFSZJAX-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.88
Rot. Bonds4

About 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran

5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 55199936) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID55199936
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCCC(C)C(Br)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H21BrO/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyGOHWFDZUFSZJAX-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.88
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-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 65428516
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
5-(1-chloroheptyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 114753527
5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61096385
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 55199936) is 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran is CCCC(C)C(Br)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is GOHWFDZUFSZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-4-5-10(2)15(16)12-6-7-14-13(9-12)8-11(3)17-14/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran?
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 297.24 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 55199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).