1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

C17H15F3O — CID 15527575

IUPAC1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CCC(O)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O/c1-2-12-16(21,13-6-4-3-5-7-13)14-8-10-15(11-9-14)17(18,19)20/h2-11,21H,1,12H2
InChIKeyRPFUTIRUPWPMLP-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.52
Rot. Bonds4

About 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 15527575) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID15527575
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CCC(O)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O/c1-2-12-16(21,13-6-4-3-5-7-13)14-8-10-15(11-9-14)17(18,19)20/h2-11,21H,1,12H2
InChIKeyRPFUTIRUPWPMLP-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
1-phenylbut-3-ene-1,1-diol
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1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
N-[4-[4-(trifluoromethyl)phenyl]hepta-1,6-dien-4-yl]aniline
CID 53495436
phosphane;trifluoromethylbenzene
CID 175486194
trifluoromethylbenzene;dihydrochloride
CID 171928889
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
ethane;bis(trifluoromethylbenzene)
CID 142912000
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 15527575) is 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is C=CCC(O)(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is RPFUTIRUPWPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-2-12-16(21,13-6-4-3-5-7-13)14-8-10-15(11-9-14)17(18,19)20/h2-11,21H,1,12H2.
What are the key properties of 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 292.30 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 15527575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).