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

C12H15F3O2 — CID 65091791

IUPAC4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOCCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-17-8-2-3-11(16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,2-3,8H2,1H3
InChIKeyFSJGEHIMPGHKMW-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.17
Rot. Bonds5

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

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 65091791) 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-1-ol.

Molecular Properties

Compound Name4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID65091791
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOCCCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-17-8-2-3-11(16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,2-3,8H2,1H3
InChIKeyFSJGEHIMPGHKMW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
5-methoxy-2-[4-(trifluoromethyl)anilino]pentanoic acid
CID 81077709
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 65091791) is 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol is COCCCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is FSJGEHIMPGHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-17-8-2-3-11(16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,2-3,8H2,1H3.
What are the key properties of 4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.17, 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-1-ol is sourced from PubChem (CID 65091791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).