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

C17H17F3O — CID 59729414

IUPAC1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3O/c1-2-3-16(21)14-6-4-12(5-7-14)13-8-10-15(11-9-13)17(18,19)20/h4-11,16,21H,2-3H2,1H3
InChIKeyZVSRJNKRZXDWHO-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.21
Rot. Bonds4

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

1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (PubChem CID 59729414) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
PubChem CID59729414
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3O/c1-2-3-16(21)14-6-4-12(5-7-14)13-8-10-15(11-9-13)17(18,19)20/h4-11,16,21H,2-3H2,1H3
InChIKeyZVSRJNKRZXDWHO-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729411
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
CID 67344061
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (CID 59729414) is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is CCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The InChIKey is ZVSRJNKRZXDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-2-3-16(21)14-6-4-12(5-7-14)13-8-10-15(11-9-13)17(18,19)20/h4-11,16,21H,2-3H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol has a molecular weight of 294.32 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 59729414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).