3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol

C14H17F3O3 — CID 115796345

IUPAC3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOC(CCC1CCCO1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1,3-4,9,11,13,18H,2,5-8H2
InChIKeyLSPPHWCGZWDGRB-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.58
Rot. Bonds5

About 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol

3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 115796345) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID115796345
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOC(CCC1CCCO1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1,3-4,9,11,13,18H,2,5-8H2
InChIKeyLSPPHWCGZWDGRB-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918574
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
[1-(3-cyclopropyloxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105341126
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol (CID 115796345) is 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol is OC(CCC1CCCO1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is LSPPHWCGZWDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c15-14(16,17)20-12-4-1-3-10(9-12)13(18)7-6-11-5-2-8-19-11/h1,3-4,9,11,13,18H,2,5-8H2.
What are the key properties of 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol?
3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 290.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 115796345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).