3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

C15H21F3O2 — CID 116752705

IUPAC3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3O2/c1-4-14(5-2,20-3)13(19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,4-5,10H2,1-3H3
InChIKeyHEOVNQCELUJVFR-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.81
Rot. Bonds6

About 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 116752705) has the molecular formula C15H21F3O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID116752705
Molecular FormulaC15H21F3O2
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3O2/c1-4-14(5-2,20-3)13(19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,4-5,10H2,1-3H3
InChIKeyHEOVNQCELUJVFR-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105275446
3-ethyl-3-methoxy-1-phenylpentan-2-ol
CID 116752734
3-methyl-1-[4-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 103448650
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105275560
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
3-methyl-4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 114222114
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (CID 116752705) is 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is CCC(CC)(OC)C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is HEOVNQCELUJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-4-14(5-2,20-3)13(19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 290.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 116752705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).