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

C15H11Br3O2 — CID 107980780

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H11Br3O2/c16-10-4-9(5-11(17)6-10)14(19)13-7-12(18)3-8-1-2-20-15(8)13/h3-7,14,19H,1-2H2
InChIKeyDOXOHCLXGPHEHY-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.99
Rot. Bonds2

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

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol (PubChem CID 107980780) has the molecular formula C15H11Br3O2 and a molecular weight of 462.96 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
PubChem CID107980780
Molecular FormulaC15H11Br3O2
Molecular Weight462.96 g/mol
Exact Mass459.83
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H11Br3O2/c16-10-4-9(5-11(17)6-10)14(19)13-7-12(18)3-8-1-2-20-15(8)13/h3-7,14,19H,1-2H2
InChIKeyDOXOHCLXGPHEHY-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
CID 104542859
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
CID 104542917
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylsulfanylphenyl)methanol
CID 104542861
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol (CID 107980780) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol is OC(c1cc(Br)cc(Br)c1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol?
The InChIKey is DOXOHCLXGPHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O2/c16-10-4-9(5-11(17)6-10)14(19)13-7-12(18)3-8-1-2-20-15(8)13/h3-7,14,19H,1-2H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol has a molecular weight of 462.96 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol is sourced from PubChem (CID 107980780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).