(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol

C11H12BrFO3 — CID 170792417

IUPAC(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol
SMILESO[C@@H]1CCOCC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO3/c12-8-2-1-7(5-9(8)13)16-11-6-15-4-3-10(11)14/h1-2,5,10-11,14H,3-4,6H2/t10-,11?/m1/s1
InChIKeyWANOKCWSIHIIAM-NFJWQWPMSA-N
MW291.12 g/mol
LogP2.12
Rot. Bonds2

About (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol

(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol (PubChem CID 170792417) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol.

Molecular Properties

Compound Name(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol
PubChem CID170792417
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol
SMILESO[C@@H]1CCOCC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO3/c12-8-2-1-7(5-9(8)13)16-11-6-15-4-3-10(11)14/h1-2,5,10-11,14H,3-4,6H2/t10-,11?/m1/s1
InChIKeyWANOKCWSIHIIAM-NFJWQWPMSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methylphenoxy)oxan-4-ol
CID 107170261
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol
CID 161251606
3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one
CID 66368302
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
3-(4-bromo-3-fluorophenoxy)spiro[3.4]octan-1-amine
CID 66352935

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol?
The IUPAC name of (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol (CID 170792417) is (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol.
What is the SMILES notation for (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol?
The canonical SMILES for (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol is O[C@@H]1CCOCC1Oc1ccc(Br)c(F)c1.
What is the InChIKey of (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol?
The InChIKey is WANOKCWSIHIIAM-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H12BrFO3/c12-8-2-1-7(5-9(8)13)16-11-6-15-4-3-10(11)14/h1-2,5,10-11,14H,3-4,6H2/t10-,11?/m1/s1.
What are the key properties of (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol?
(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol has a molecular weight of 291.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol is sourced from PubChem (CID 170792417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).