2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol

C16H13Br2FO2 — CID 107954109

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cccc(Br)c1F
InChIInChI=1S/C16H13Br2FO2/c17-11-6-9-4-5-21-16(9)10(7-11)8-14(20)12-2-1-3-13(18)15(12)19/h1-3,6-7,14,20H,4-5,8H2
InChIKeyOROPKKQHVGAWDN-UHFFFAOYSA-N
MW416.08 g/mol
LogP4.56
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol (PubChem CID 107954109) has the molecular formula C16H13Br2FO2 and a molecular weight of 416.08 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
PubChem CID107954109
Molecular FormulaC16H13Br2FO2
Molecular Weight416.08 g/mol
Exact Mass413.93
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cccc(Br)c1F
InChIInChI=1S/C16H13Br2FO2/c17-11-6-9-4-5-21-16(9)10(7-11)8-14(20)12-2-1-3-13(18)15(12)19/h1-3,6-7,14,20H,4-5,8H2
InChIKeyOROPKKQHVGAWDN-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.08
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102829850
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol (CID 107954109) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol is OC(Cc1cc(Br)cc2c1OCC2)c1cccc(Br)c1F.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol?
The InChIKey is OROPKKQHVGAWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2FO2/c17-11-6-9-4-5-21-16(9)10(7-11)8-14(20)12-2-1-3-13(18)15(12)19/h1-3,6-7,14,20H,4-5,8H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol has a molecular weight of 416.08 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 107954109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).