1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol

C14H13F3O3 — CID 117240158

IUPAC1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H13F3O3/c1-9-2-7-13(20-9)12(18)8-19-11-5-3-10(4-6-11)14(15,16)17/h2-7,12,18H,8H2,1H3
InChIKeyOVTAGDMPGVEMQO-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.72
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol

1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol (PubChem CID 117240158) has the molecular formula C14H13F3O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
PubChem CID117240158
Molecular FormulaC14H13F3O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H13F3O3/c1-9-2-7-13(20-9)12(18)8-19-11-5-3-10(4-6-11)14(15,16)17/h2-7,12,18H,8H2,1H3
InChIKeyOVTAGDMPGVEMQO-UHFFFAOYSA-N
XLogP3.72
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-(trifluoromethyl)benzene
CID 65016574
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 117240547
3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
2-methyl-3-[4-(trifluoromethyl)phenoxy]propanethioamide
CID 43175370
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-[4-(trifluoromethyl)phenoxy]propan-2-yl acetate
CID 67250236
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol (CID 117240158) is 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol is Cc1ccc(C(O)COc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is OVTAGDMPGVEMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O3/c1-9-2-7-13(20-9)12(18)8-19-11-5-3-10(4-6-11)14(15,16)17/h2-7,12,18H,8H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol?
1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 286.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 117240158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).