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

C15H11FO2 — CID 8855869

IUPAC(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C15H11FO2/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(17)10-11/h1-10,17H/b9-8+
InChIKeyHGYWMLWMSLYPML-CMDGGOBGSA-N
MW242.25 g/mol
LogP3.43
Rot. Bonds3

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

(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 8855869) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID8855869
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C15H11FO2/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(17)10-11/h1-10,17H/b9-8+
InChIKeyHGYWMLWMSLYPML-CMDGGOBGSA-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 ≤ 500242.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
(E)-1-(2-fluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8855882
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(E)-1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155562698
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 8855869) is (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1cccc(O)c1)c1ccccc1F.
What is the InChIKey of (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is HGYWMLWMSLYPML-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11FO2/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(17)10-11/h1-10,17H/b9-8+.
What are the key properties of (E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 242.25 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-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 8855869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).