(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one

C16H11F3O2 — CID 102229426

IUPAC(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)C(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)14(10-11-4-2-1-3-5-11)15(21)12-6-8-13(20)9-7-12/h1-10,20H/b14-10-
InChIKeyQKYPZXAIAOVWMK-UVTDQMKNSA-N
MW292.26 g/mol
LogP4.22
Rot. Bonds3

About (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one

(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one (PubChem CID 102229426) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
PubChem CID102229426
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)C(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)14(10-11-4-2-1-3-5-11)15(21)12-6-8-13(20)9-7-12/h1-10,20H/b14-10-
InChIKeyQKYPZXAIAOVWMK-UVTDQMKNSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
(E)-3-(3,5-dibromophenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 122402631
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
(2Z)-2-benzylidene-4,4,4-trifluoro-1-phenylbutane-1,3-dione
CID 126359991
(2Z)-2-benzylidene-1-(4-bromophenyl)-4,4,4-trifluorobutane-1,3-dione
CID 126363906
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
benzene-1,4-diol;benzoic acid
CID 67019242
4-hydroxy(11C)benzoic acid
CID 11275035
(2E,3Z)-3-(1-hydroxyethylidene)-2-[(4-hydroxyphenyl)methylidene]-1-phenylpentane-1,4-dione
CID 11244167
(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl] benzoate
CID 6383558

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one (CID 102229426) is (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one is O=C(/C(=C/c1ccccc1)C(F)(F)F)c1ccc(O)cc1.
What is the InChIKey of (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The InChIKey is QKYPZXAIAOVWMK-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)14(10-11-4-2-1-3-5-11)15(21)12-6-8-13(20)9-7-12/h1-10,20H/b14-10-.
What are the key properties of (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one has a molecular weight of 292.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one is sourced from PubChem (CID 102229426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).