2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol

C17H17BrO3 — CID 107709496

IUPAC2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C17H17BrO3/c18-15-9-13-6-8-20-17(13)14(10-15)11-21-16-3-1-12(2-4-16)5-7-19/h1-4,9-10,19H,5-8,11H2
InChIKeyREKMFWUZMIBPFQ-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol

2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol (PubChem CID 107709496) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
PubChem CID107709496
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C17H17BrO3/c18-15-9-13-6-8-20-17(13)14(10-15)11-21-16-3-1-12(2-4-16)5-7-19/h1-4,9-10,19H,5-8,11H2
InChIKeyREKMFWUZMIBPFQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 107691282
5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
CID 141414354
5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 107661972
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-pyridin-2-ylbutan-2-ol
CID 105123843
7-(azidomethyl)-5-bromo-2,3-dihydro-1-benzofuran
CID 22930437
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
CID 102679435
N-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 113403564
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
1-(1-aminocyclobutyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116598634

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol (CID 107709496) is 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol is OCCc1ccc(OCc2cc(Br)cc3c2OCC3)cc1.
What is the InChIKey of 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol?
The InChIKey is REKMFWUZMIBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c18-15-9-13-6-8-20-17(13)14(10-15)11-21-16-3-1-12(2-4-16)5-7-19/h1-4,9-10,19H,5-8,11H2.
What are the key properties of 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol?
2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol has a molecular weight of 349.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107709496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).