(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol

C12H14BrFO2 — CID 79746537

IUPAC(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)C1CCCOC1
InChIInChI=1S/C12H14BrFO2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyUOYSPNDCDNMZDB-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.05
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol

(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol (PubChem CID 79746537) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
PubChem CID79746537
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)C1CCCOC1
InChIInChI=1S/C12H14BrFO2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyUOYSPNDCDNMZDB-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

(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
CID 107135528

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol (CID 79746537) is (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol is OC(c1ccc(F)c(Br)c1)C1CCCOC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol?
The InChIKey is UOYSPNDCDNMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-10-6-8(3-4-11(10)14)12(15)9-2-1-5-16-7-9/h3-4,6,9,12,15H,1-2,5,7H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol?
(3-bromo-4-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-4-fluorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 79746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).