5-chloro-2-(1-chlorobutyl)-1-benzofuran

C12H12Cl2O — CID 130480572

IUPAC5-chloro-2-(1-chlorobutyl)-1-benzofuran
SMILESCCCC(Cl)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12Cl2O/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3H2,1H3
InChIKeyQAMIDZBWPSQWLV-UHFFFAOYSA-N
MW243.13 g/mol
LogP5.17
Rot. Bonds3

About 5-chloro-2-(1-chlorobutyl)-1-benzofuran

5-chloro-2-(1-chlorobutyl)-1-benzofuran (PubChem CID 130480572) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-chloro-2-(1-chlorobutyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(1-chlorobutyl)-1-benzofuran
PubChem CID130480572
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name5-chloro-2-(1-chlorobutyl)-1-benzofuran
SMILESCCCC(Cl)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12Cl2O/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3H2,1H3
InChIKeyQAMIDZBWPSQWLV-UHFFFAOYSA-N
XLogP5.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.13
LogP ≤ 55.17
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

1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
CID 114732842
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chlorobutyl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(1-chlorobutyl)-1-benzofuran (CID 130480572) is 5-chloro-2-(1-chlorobutyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(1-chlorobutyl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(1-chlorobutyl)-1-benzofuran is CCCC(Cl)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-(1-chlorobutyl)-1-benzofuran?
The InChIKey is QAMIDZBWPSQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3H2,1H3.
What are the key properties of 5-chloro-2-(1-chlorobutyl)-1-benzofuran?
5-chloro-2-(1-chlorobutyl)-1-benzofuran has a molecular weight of 243.13 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chlorobutyl)-1-benzofuran is sourced from PubChem (CID 130480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).