(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one

C17H13FO2 — CID 56839366

IUPAC(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1cccc(O)c1)/C=C/c1cccc(F)c1
InChIInChI=1S/C17H13FO2/c18-15-5-1-3-13(11-15)7-9-16(19)10-8-14-4-2-6-17(20)12-14/h1-12,20H/b9-7+,10-8+
InChIKeyPBZJIEJVHIXYTH-FIFLTTCUSA-N
MW268.29 g/mol
LogP3.83
Rot. Bonds4

About (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 56839366) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID56839366
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1cccc(O)c1)/C=C/c1cccc(F)c1
InChIInChI=1S/C17H13FO2/c18-15-5-1-3-13(11-15)7-9-16(19)10-8-14-4-2-6-17(20)12-14/h1-12,20H/b9-7+,10-8+
InChIKeyPBZJIEJVHIXYTH-FIFLTTCUSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.83
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

3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 177386044
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
N-cyano-3-(3-fluorophenyl)prop-2-enamide
CID 79193644
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
(1E,4E,6E)-7-(3-hydroxyphenyl)-1-(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 90682173

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one (CID 56839366) is (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one is O=C(/C=C/c1cccc(O)c1)/C=C/c1cccc(F)c1.
What is the InChIKey of (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is PBZJIEJVHIXYTH-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H13FO2/c18-15-5-1-3-13(11-15)7-9-16(19)10-8-14-4-2-6-17(20)12-14/h1-12,20H/b9-7+,10-8+.
What are the key properties of (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one has a molecular weight of 268.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 56839366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).