2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol

C12H14F2O3 — CID 104753703

IUPAC2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
SMILESOC(COc1cc(F)cc(F)c1)C1CCOC1
InChIInChI=1S/C12H14F2O3/c13-9-3-10(14)5-11(4-9)17-7-12(15)8-1-2-16-6-8/h3-5,8,12,15H,1-2,6-7H2
InChIKeyDBXYDVUFSJLJIM-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.74
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol

2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 104753703) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID104753703
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
SMILESOC(COc1cc(F)cc(F)c1)C1CCOC1
InChIInChI=1S/C12H14F2O3/c13-9-3-10(14)5-11(4-9)17-7-12(15)8-1-2-16-6-8/h3-5,8,12,15H,1-2,6-7H2
InChIKeyDBXYDVUFSJLJIM-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol (CID 104753703) is 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol is OC(COc1cc(F)cc(F)c1)C1CCOC1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is DBXYDVUFSJLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c13-9-3-10(14)5-11(4-9)17-7-12(15)8-1-2-16-6-8/h3-5,8,12,15H,1-2,6-7H2.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol?
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol has a molecular weight of 244.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).