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

C16H12BrF3O — CID 19261649

IUPAC(E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C(/c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3O/c17-14-7-3-12(4-8-14)15(9-10-21)11-1-5-13(6-2-11)16(18,19)20/h1-9,21H,10H2/b15-9+
InChIKeyGZIXKQFKIFSGDK-OQLLNIDSSA-N
MW357.17 g/mol
LogP4.89
Rot. Bonds3

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

(E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 19261649) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID19261649
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name(E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C(/c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3O/c17-14-7-3-12(4-8-14)15(9-10-21)11-1-5-13(6-2-11)16(18,19)20/h1-9,21H,10H2/b15-9+
InChIKeyGZIXKQFKIFSGDK-OQLLNIDSSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 19261649) is (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is OC/C=C(/c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is GZIXKQFKIFSGDK-OQLLNIDSSA-N. The full InChI is InChI=1S/C16H12BrF3O/c17-14-7-3-12(4-8-14)15(9-10-21)11-1-5-13(6-2-11)16(18,19)20/h1-9,21H,10H2/b15-9+.
What are the key properties of (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 357.17 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 19261649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).