(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol

C12H14BrFO2 — CID 107136132

IUPAC(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H14BrFO2/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12,15H,1-3,7H2
InChIKeyJGFGFMCTISPVEO-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.05
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol

(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol (PubChem CID 107136132) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
PubChem CID107136132
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H14BrFO2/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12,15H,1-3,7H2
InChIKeyJGFGFMCTISPVEO-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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Related Compounds

(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
CID 107135674
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921119
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol (CID 107136132) is (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol is OC(c1cc(F)cc(Br)c1)C1CCCOC1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol?
The InChIKey is JGFGFMCTISPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12,15H,1-3,7H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol?
(3-bromo-5-fluorophenyl)-(oxan-3-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 (3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).