3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane

C13H20F2O3 — CID 143922377

IUPAC3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane
SMILESCC.Cc1ccc(OCC(O)CO)c(C(F)F)c1
InChIInChI=1S/C11H14F2O3.C2H6/c1-7-2-3-10(9(4-7)11(12)13)16-6-8(15)5-14;1-2/h2-4,8,11,14-15H,5-6H2,1H3;1-2H3
InChIKeyWIEZZAWDFKPBRE-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane

3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane (PubChem CID 143922377) has the molecular formula C13H20F2O3 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane
PubChem CID143922377
Molecular FormulaC13H20F2O3
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane
SMILESCC.Cc1ccc(OCC(O)CO)c(C(F)F)c1
InChIInChI=1S/C11H14F2O3.C2H6/c1-7-2-3-10(9(4-7)11(12)13)16-6-8(15)5-14;1-2/h2-4,8,11,14-15H,5-6H2,1H3;1-2H3
InChIKeyWIEZZAWDFKPBRE-UHFFFAOYSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988845
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
4-(2,3-dihydroxypropoxy)-3-methylbenzoic acid
CID 107673437

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane?
The IUPAC name of 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane (CID 143922377) is 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane?
The canonical SMILES for 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane is CC.Cc1ccc(OCC(O)CO)c(C(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane?
The InChIKey is WIEZZAWDFKPBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3.C2H6/c1-7-2-3-10(9(4-7)11(12)13)16-6-8(15)5-14;1-2/h2-4,8,11,14-15H,5-6H2,1H3;1-2H3.
What are the key properties of 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane?
3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane has a molecular weight of 262.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane is sourced from PubChem (CID 143922377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).