3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol

C18H20F3NO3 — CID 69318420

IUPAC3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol
SMILESCC(C)Oc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCO
InChIInChI=1S/C18H20F3NO3/c1-12(2)24-16-10-15(7-5-13(16)4-3-9-23)25-17-8-6-14(11-22-17)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3
InChIKeyRYALRZREFPFRGV-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.60
Rot. Bonds7

About 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol

3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol (PubChem CID 69318420) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol
PubChem CID69318420
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol
SMILESCC(C)Oc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCO
InChIInChI=1S/C18H20F3NO3/c1-12(2)24-16-10-15(7-5-13(16)4-3-9-23)25-17-8-6-14(11-22-17)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3
InChIKeyRYALRZREFPFRGV-UHFFFAOYSA-N
XLogP4.60
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol with MolForge

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Related Compounds

3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(1,3-diethoxypropan-2-yloxy)phenyl]propan-1-ol
CID 68551354
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]propan-1-ol
CID 68550039
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(furan-2-ylmethoxy)phenyl]propan-1-ol
CID 68552262
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
2-[2,3,5,6-tetradeuterio-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
CID 12877616
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 86623917
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755

Frequently Asked Questions

What is the IUPAC name of 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol?
The IUPAC name of 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol (CID 69318420) is 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol?
The canonical SMILES for 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol is CC(C)Oc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCO.
What is the InChIKey of 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol?
The InChIKey is RYALRZREFPFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3/c1-12(2)24-16-10-15(7-5-13(16)4-3-9-23)25-17-8-6-14(11-22-17)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3.
What are the key properties of 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol?
3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol has a molecular weight of 355.36 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-propan-2-yloxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-ol is sourced from PubChem (CID 69318420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).