3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol

C17H17F3O3 — CID 14500154

IUPAC3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol
SMILESOCC(COCc1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C17H17F3O3/c18-17(19,20)14(10-21)12-22-11-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,14,21H,10-12H2
InChIKeyIMJAFOONPPRHPH-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.17
Rot. Bonds7

About 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol

3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol (PubChem CID 14500154) has the molecular formula C17H17F3O3 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol
PubChem CID14500154
Molecular FormulaC17H17F3O3
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC Name3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol
SMILESOCC(COCc1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C17H17F3O3/c18-17(19,20)14(10-21)12-22-11-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,14,21H,10-12H2
InChIKeyIMJAFOONPPRHPH-UHFFFAOYSA-N
XLogP4.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol (CID 14500154) is 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol is OCC(COCc1cccc(Oc2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol?
The InChIKey is IMJAFOONPPRHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O3/c18-17(19,20)14(10-21)12-22-11-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,14,21H,10-12H2.
What are the key properties of 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol?
3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol has a molecular weight of 326.31 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propan-1-ol is sourced from PubChem (CID 14500154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).