1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

C14H17F3O3 — CID 116712645

IUPAC1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOC(C(O)Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3O3/c1-19-13(10-4-5-10)12(18)8-9-2-6-11(7-3-9)20-14(15,16)17/h2-3,6-7,10,12-13,18H,4-5,8H2,1H3
InChIKeyZUPWPKLLOXICKI-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.91
Rot. Bonds6

About 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 116712645) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID116712645
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOC(C(O)Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3O3/c1-19-13(10-4-5-10)12(18)8-9-2-6-11(7-3-9)20-14(15,16)17/h2-3,6-7,10,12-13,18H,4-5,8H2,1H3
InChIKeyZUPWPKLLOXICKI-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 116710608
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
1-(thiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105136631
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (CID 116712645) is 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is COC(C(O)Cc1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is ZUPWPKLLOXICKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-19-13(10-4-5-10)12(18)8-9-2-6-11(7-3-9)20-14(15,16)17/h2-3,6-7,10,12-13,18H,4-5,8H2,1H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 116712645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).