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

C15H12BrFO2 — CID 61100600

IUPAC(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeyIWIYBKHQGLQNEQ-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.60
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61100600) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61100600
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeyIWIYBKHQGLQNEQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61100600) is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is IWIYBKHQGLQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 323.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61100600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).