(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

C16H11F3O2 — CID 146008205

IUPAC(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)21-14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+
InChIKeyLRAITISICHUNGY-MDZDMXLPSA-N
MW292.26 g/mol
LogP4.48
Rot. Bonds4

About (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one (PubChem CID 146008205) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
PubChem CID146008205
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)21-14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+
InChIKeyLRAITISICHUNGY-MDZDMXLPSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one 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

1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
(E)-1-[3-(difluoromethoxy)phenyl]-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-en-1-one
CID 19542694
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-3-(4-tert-butylphenyl)-1-[3-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 19542729
(E)-1-(3-bromophenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-en-1-one
CID 19551037
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
(E)-1-(3-hydroxyphenyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 35789245
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one (CID 146008205) is (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The InChIKey is LRAITISICHUNGY-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)21-14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+.
What are the key properties of (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one?
(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one has a molecular weight of 292.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 146008205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).