5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran

C18H19BrO2 — CID 107723704

IUPAC5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(OCCc2ccc3c(c2)CCO3)cc(C)c1Br
InChIInChI=1S/C18H19BrO2/c1-12-9-16(10-13(2)18(12)19)20-7-5-14-3-4-17-15(11-14)6-8-21-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDOJYECSZUAGTQE-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.62
Rot. Bonds4

About 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran

5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 107723704) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
PubChem CID107723704
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(OCCc2ccc3c(c2)CCO3)cc(C)c1Br
InChIInChI=1S/C18H19BrO2/c1-12-9-16(10-13(2)18(12)19)20-7-5-14-3-4-17-15(11-14)6-8-21-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDOJYECSZUAGTQE-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
CID 86792227

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran (CID 107723704) is 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran is Cc1cc(OCCc2ccc3c(c2)CCO3)cc(C)c1Br.
What is the InChIKey of 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is DOJYECSZUAGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12-9-16(10-13(2)18(12)19)20-7-5-14-3-4-17-15(11-14)6-8-21-17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran?
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 347.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).