(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

C15H10F2O2 — CID 10515469

IUPAC(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)ccc1F)c1ccc(O)cc1
InChIInChI=1S/C15H10F2O2/c16-12-4-7-14(17)11(9-12)3-8-15(19)10-1-5-13(18)6-2-10/h1-9,18H/b8-3+
InChIKeyXUKBABOKBOKKPA-FPYGCLRLSA-N
MW260.24 g/mol
LogP3.57
Rot. Bonds3

About (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 10515469) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID10515469
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)ccc1F)c1ccc(O)cc1
InChIInChI=1S/C15H10F2O2/c16-12-4-7-14(17)11(9-12)3-8-15(19)10-1-5-13(18)6-2-10/h1-9,18H/b8-3+
InChIKeyXUKBABOKBOKKPA-FPYGCLRLSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 10515469) is (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1cc(F)ccc1F)c1ccc(O)cc1.
What is the InChIKey of (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is XUKBABOKBOKKPA-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-12-4-7-14(17)11(9-12)3-8-15(19)10-1-5-13(18)6-2-10/h1-9,18H/b8-3+.
What are the key properties of (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 260.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10515469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).