(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol

C17H15F3O — CID 19261685

IUPAC(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10,21H,11H2,1H3/b16-10+
InChIKeyHXFFMOADYMBHRE-MHWRWJLKSA-N
MW292.30 g/mol
LogP4.44
Rot. Bonds3

About (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol

(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 19261685) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID19261685
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10,21H,11H2,1H3/b16-10+
InChIKeyHXFFMOADYMBHRE-MHWRWJLKSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
(Z)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 19261799
(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 67145582
(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 67745537
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 20765801
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 91173371

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 19261685) is (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is Cc1ccc(/C(=C\CO)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is HXFFMOADYMBHRE-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10,21H,11H2,1H3/b16-10+.
What are the key properties of (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 292.30 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 19261685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).