5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran

C11H12Cl2O — CID 126973912

IUPAC5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
SMILESCC(Cl)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H12Cl2O/c1-7(12)4-9-6-10(13)5-8-2-3-14-11(8)9/h5-7H,2-4H2,1H3
InChIKeyGLCYYOGOZJOSSH-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.44
Rot. Bonds2

About 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran

5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran (PubChem CID 126973912) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
PubChem CID126973912
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
SMILESCC(Cl)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H12Cl2O/c1-7(12)4-9-6-10(13)5-8-2-3-14-11(8)9/h5-7H,2-4H2,1H3
InChIKeyGLCYYOGOZJOSSH-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.44
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-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
5-chloro-7-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 113403748
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721258

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran (CID 126973912) is 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran is CC(Cl)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran?
The InChIKey is GLCYYOGOZJOSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-7(12)4-9-6-10(13)5-8-2-3-14-11(8)9/h5-7H,2-4H2,1H3.
What are the key properties of 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran?
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran has a molecular weight of 231.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 126973912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).