(5-bromo-1-benzofuran-2-yl)-phenylmethanol

C15H11BrO2 — CID 3067860

IUPAC(5-bromo-1-benzofuran-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15,17H
InChIKeyFGQZVPZMZJBGIY-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.28
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-phenylmethanol

(5-bromo-1-benzofuran-2-yl)-phenylmethanol (PubChem CID 3067860) has the molecular formula C15H11BrO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-phenylmethanol
PubChem CID3067860
Molecular FormulaC15H11BrO2
Molecular Weight303.15 g/mol
Exact Mass301.99
IUPAC Name(5-bromo-1-benzofuran-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15,17H
InChIKeyFGQZVPZMZJBGIY-UHFFFAOYSA-N
XLogP4.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-phenylmethanol?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-phenylmethanol (CID 3067860) is (5-bromo-1-benzofuran-2-yl)-phenylmethanol.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-phenylmethanol?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-phenylmethanol is OC(c1ccccc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-phenylmethanol?
The InChIKey is FGQZVPZMZJBGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15,17H.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-phenylmethanol?
(5-bromo-1-benzofuran-2-yl)-phenylmethanol has a molecular weight of 303.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-phenylmethanol is sourced from PubChem (CID 3067860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).