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

C17H16Br2O2 — CID 65446587

IUPAC5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESBrCc1cccc(Br)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H16Br2O2/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
InChIKeyDGJHFIJGVPWSKW-UHFFFAOYSA-N
MW412.12 g/mol
LogP4.90
Rot. Bonds5

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

5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 65446587) has the molecular formula C17H16Br2O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
PubChem CID65446587
Molecular FormulaC17H16Br2O2
Molecular Weight412.12 g/mol
Exact Mass409.95
IUPAC Name5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESBrCc1cccc(Br)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H16Br2O2/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
InChIKeyDGJHFIJGVPWSKW-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 54.90
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-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran (CID 65446587) is 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran is BrCc1cccc(Br)c1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is DGJHFIJGVPWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O2/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-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran?
5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 412.12 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 65446587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).