4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol

C13H17F3O2 — CID 62606117

IUPAC4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
SMILESCC(C)CC(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16/h3-6,9,11,17H,7-8H2,1-2H3
InChIKeyFWZXBZJLFBQQLE-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.53
Rot. Bonds5

About 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol

4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol (PubChem CID 62606117) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
PubChem CID62606117
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
SMILESCC(C)CC(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16/h3-6,9,11,17H,7-8H2,1-2H3
InChIKeyFWZXBZJLFBQQLE-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787194
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol?
The IUPAC name of 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol (CID 62606117) is 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol is CC(C)CC(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol?
The InChIKey is FWZXBZJLFBQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-9(2)7-11(17)8-10-3-5-12(6-4-10)18-13(14,15)16/h3-6,9,11,17H,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol?
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol is sourced from PubChem (CID 62606117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).