1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol

C15H13F3O2 — CID 114930534

IUPAC1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1c(F)cccc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)11-6-5-10(16)7-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9,19H,8H2,1H3
InChIKeyBBEPAEMJJQJPAS-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.74
Rot. Bonds4

About 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol

1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 114930534) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
PubChem CID114930534
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1c(F)cccc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)11-6-5-10(16)7-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9,19H,8H2,1H3
InChIKeyBBEPAEMJJQJPAS-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 55188831
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol (CID 114930534) is 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol is CC(O)c1ccc(F)cc1OCc1c(F)cccc1F.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is BBEPAEMJJQJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9(19)11-6-5-10(16)7-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol?
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 282.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 114930534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).