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

C16H13Br3O2 — CID 115830926

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br3O2/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15,20H,3-4,7H2
InChIKeyBRAAEOSUTFFGHA-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.19
Rot. Bonds3

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

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol (PubChem CID 115830926) has the molecular formula C16H13Br3O2 and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
PubChem CID115830926
Molecular FormulaC16H13Br3O2
Molecular Weight476.99 g/mol
Exact Mass473.85
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br3O2/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15,20H,3-4,7H2
InChIKeyBRAAEOSUTFFGHA-UHFFFAOYSA-N
XLogP5.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.19
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-(5-bromo-2-methylphenyl)ethanol
CID 115830873
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-(3-bromo-2-fluorophenyl)ethanol
CID 107954109
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
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
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol (CID 115830926) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol is OC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol?
The InChIKey is BRAAEOSUTFFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3O2/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15,20H,3-4,7H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol has a molecular weight of 476.99 g/mol, XLogP of 5.19, 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-(2,5-dibromophenyl)ethanol is sourced from PubChem (CID 115830926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).