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

C16H15F3O2 — CID 62790964

IUPAC3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCOc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(20)10-11-21-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2
InChIKeyHSMCCCWOMXWQCC-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.21
Rot. Bonds5

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

3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 62790964) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID62790964
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCOc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(20)10-11-21-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2
InChIKeyHSMCCCWOMXWQCC-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115003137
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CID 62802067
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
CID 116505724
1,5-diphenoxypentan-3-ol
CID 5314309
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 62790964) is 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol is OC(CCOc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is HSMCCCWOMXWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(20)10-11-21-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2.
What are the key properties of 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 296.29 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 62790964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).