(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol

C12H14BrFO2 — CID 63936061

IUPAC(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1ccc(Br)cc1F)C1CCOCC1
InChIInChI=1S/C12H14BrFO2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2
InChIKeyVYSXCPINXTUWJT-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.05
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol

(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol (PubChem CID 63936061) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol
PubChem CID63936061
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1ccc(Br)cc1F)C1CCOCC1
InChIInChI=1S/C12H14BrFO2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2
InChIKeyVYSXCPINXTUWJT-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.05
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)-(oxan-4-yl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol (CID 63936061) is (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol is OC(c1ccc(Br)cc1F)C1CCOCC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol?
The InChIKey is VYSXCPINXTUWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol?
(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanol has a molecular weight of 289.14 g/mol, XLogP of 3.05, 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)-(oxan-4-yl)methanol is sourced from PubChem (CID 63936061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).