(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

C15H11FO2 — CID 10399428

IUPAC(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccccc1[18F]
InChIInChI=1S/C15H11FO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H/b10-7+/i16-1
InChIKeyJZMGFPRNGFBJCJ-ULWPFIGHSA-N
MW241.25 g/mol
LogP3.43
Rot. Bonds3

About (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 10399428) has the molecular formula C15H11FO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID10399428
Molecular FormulaC15H11FO2
Molecular Weight241.25 g/mol
Exact Mass241.08
IUPAC Name(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccccc1[18F]
InChIInChI=1S/C15H11FO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H/b10-7+/i16-1
InChIKeyJZMGFPRNGFBJCJ-ULWPFIGHSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)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-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 127260328
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
N-[2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 175343363
(E)-1-(2-fluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8855882
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (CID 10399428) is (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1)c1ccccc1[18F].
What is the InChIKey of (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is JZMGFPRNGFBJCJ-ULWPFIGHSA-N. The full InChI is InChI=1S/C15H11FO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H/b10-7+/i16-1.
What are the key properties of (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 241.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10399428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).