4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol

C12H15F3O2 — CID 55095519

IUPAC4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCOCCC(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-17-7-6-11(16)8-9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16H,6-8H2,1H3
InChIKeyWCQQRYMTBQPKLW-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.65
Rot. Bonds5

About 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 55095519) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID55095519
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCOCCC(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-17-7-6-11(16)8-9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16H,6-8H2,1H3
InChIKeyWCQQRYMTBQPKLW-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79952878
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol (CID 55095519) is 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol is COCCC(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is WCQQRYMTBQPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-17-7-6-11(16)8-9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16H,6-8H2,1H3.
What are the key properties of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 248.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 55095519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).