(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol

C11H12BrFO2 — CID 63894132

IUPAC(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1ccc(Br)cc1F)C1CCOC1
InChIInChI=1S/C11H12BrFO2/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyOCDFWYAXPMLRIO-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.66
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol

(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol (PubChem CID 63894132) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
PubChem CID63894132
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1ccc(Br)cc1F)C1CCOC1
InChIInChI=1S/C11H12BrFO2/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyOCDFWYAXPMLRIO-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol (CID 63894132) is (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol is OC(c1ccc(Br)cc1F)C1CCOC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
The InChIKey is OCDFWYAXPMLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol?
(4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol has a molecular weight of 275.12 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 63894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).