5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran

C17H16BrClO2 — CID 115956716

IUPAC5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(CBr)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H16BrClO2/c18-11-14-2-1-3-15(19)17(14)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11H2
InChIKeyBEYPUWRGRGIORF-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.79
Rot. Bonds5

About 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran

5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 115956716) has the molecular formula C17H16BrClO2 and a molecular weight of 367.67 g/mol. Its IUPAC name is 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
PubChem CID115956716
Molecular FormulaC17H16BrClO2
Molecular Weight367.67 g/mol
Exact Mass366.00
IUPAC Name5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(CBr)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H16BrClO2/c18-11-14-2-1-3-15(19)17(14)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11H2
InChIKeyBEYPUWRGRGIORF-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65446587
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
2,3-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65431408
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
CID 102674746
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran (CID 115956716) is 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran is Clc1cccc(CBr)c1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BEYPUWRGRGIORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO2/c18-11-14-2-1-3-15(19)17(14)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11H2.
What are the key properties of 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran?
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 367.67 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115956716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).