5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran

C19H29BrO — CID 65428516

IUPAC5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCCCCCCCCC(Br)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29BrO/c1-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(14-16)13-15(2)21-19/h11-12,14-15,18H,3-10,13H2,1-2H3
InChIKeyZZPUDYZFIPDADL-UHFFFAOYSA-N
MW353.34 g/mol
LogP6.59
Rot. Bonds9

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

5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 65428516) has the molecular formula C19H29BrO and a molecular weight of 353.34 g/mol. Its IUPAC name is 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID65428516
Molecular FormulaC19H29BrO
Molecular Weight353.34 g/mol
Exact Mass352.14
IUPAC Name5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCCCCCCCCC(Br)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29BrO/c1-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(14-16)13-15(2)21-19/h11-12,14-15,18H,3-10,13H2,1-2H3
InChIKeyZZPUDYZFIPDADL-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 56.59
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

5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
5-(1-chloroheptyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 114753527
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936
5-(1-bromononyl)-2,2-dimethyl-3H-1-benzofuran
CID 65427934
6-(1-bromodecyl)-2,3-dihydro-1,4-benzodioxine
CID 22079611
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
6-(1-bromohexyl)-2,3-dihydro-1,4-benzodioxine
CID 55199144
5-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63443045
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63442471
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 65428516) is 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran is CCCCCCCCCC(Br)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is ZZPUDYZFIPDADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrO/c1-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(14-16)13-15(2)21-19/h11-12,14-15,18H,3-10,13H2,1-2H3.
What are the key properties of 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran?
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 353.34 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 65428516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).