1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol

C14H18BrFO4 — CID 109414106

IUPAC1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1Br)COC1CCOCC1
InChIInChI=1S/C14H18BrFO4/c15-13-7-10(16)1-2-14(13)20-9-11(17)8-19-12-3-5-18-6-4-12/h1-2,7,11-12,17H,3-6,8-9H2
InChIKeyFRWXVOZYANRASA-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.52
Rot. Bonds6

About 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol

1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 109414106) has the molecular formula C14H18BrFO4 and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol
PubChem CID109414106
Molecular FormulaC14H18BrFO4
Molecular Weight349.20 g/mol
Exact Mass348.04
IUPAC Name1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1Br)COC1CCOCC1
InChIInChI=1S/C14H18BrFO4/c15-13-7-10(16)1-2-14(13)20-9-11(17)8-19-12-3-5-18-6-4-12/h1-2,7,11-12,17H,3-6,8-9H2
InChIKeyFRWXVOZYANRASA-UHFFFAOYSA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol
CID 167904392
1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol
CID 167757306
3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
CID 43531039
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
3-[2-hydroxy-3-(oxan-4-yloxy)propoxy]naphthalene-1-carbonitrile
CID 167790854
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
CID 97102257

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol (CID 109414106) is 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol is OC(COc1ccc(F)cc1Br)COC1CCOCC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol?
The InChIKey is FRWXVOZYANRASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO4/c15-13-7-10(16)1-2-14(13)20-9-11(17)8-19-12-3-5-18-6-4-12/h1-2,7,11-12,17H,3-6,8-9H2.
What are the key properties of 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol?
1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol has a molecular weight of 349.20 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 109414106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).