3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol

C12H15F3O2 — CID 79617375

IUPAC3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
SMILESCOC(C)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-8(17-2)11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyHHQJSZXMVUFPSV-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.64
Rot. Bonds4

About 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol

3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 79617375) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID79617375
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
SMILESCOC(C)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-8(17-2)11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyHHQJSZXMVUFPSV-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 116713333
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol (CID 79617375) is 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol is COC(C)C(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is HHQJSZXMVUFPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8(17-2)11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3.
What are the key properties of 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 248.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 79617375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).