3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol

C17H17F3O2 — CID 15059584

IUPAC3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
SMILESOCCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O2/c18-17(19,20)15-5-1-3-14(11-15)12-22-16-8-6-13(7-9-16)4-2-10-21/h1,3,5-9,11,21H,2,4,10,12H2
InChIKeyYBVIQSRNZYTANQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.21
Rot. Bonds6

About 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol

3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol (PubChem CID 15059584) has the molecular formula C17H17F3O2 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
PubChem CID15059584
Molecular FormulaC17H17F3O2
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
SMILESOCCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O2/c18-17(19,20)15-5-1-3-14(11-15)12-22-16-8-6-13(7-9-16)4-2-10-21/h1,3,5-9,11,21H,2,4,10,12H2
InChIKeyYBVIQSRNZYTANQ-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-(hydroxymethyl)-6-[4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]butoxy]oxane-3,4,5-triol
CID 147053795
2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
CID 166625545
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
CID 10738662
2-amino-2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]propyl]propane-1,3-diol
CID 11476479
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol (CID 15059584) is 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol is OCCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
The InChIKey is YBVIQSRNZYTANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O2/c18-17(19,20)15-5-1-3-14(11-15)12-22-16-8-6-13(7-9-16)4-2-10-21/h1,3,5-9,11,21H,2,4,10,12H2.
What are the key properties of 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol?
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol has a molecular weight of 310.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 15059584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).