(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one

C17H13FO3 — CID 177386044

IUPAC(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C(\O)c1ccccc1O)/C=C/c1cccc(F)c1
InChIInChI=1S/C17H13FO3/c18-13-5-3-4-12(10-13)8-9-14(19)11-17(21)15-6-1-2-7-16(15)20/h1-11,20-21H/b9-8+,17-11-
InChIKeyFBDKPPZSLALVDI-JMAVEDQASA-N
MW284.29 g/mol
LogP3.71
Rot. Bonds4

About (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one

(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 177386044) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID177386044
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C(\O)c1ccccc1O)/C=C/c1cccc(F)c1
InChIInChI=1S/C17H13FO3/c18-13-5-3-4-12(10-13)8-9-14(19)11-17(21)15-6-1-2-7-16(15)20/h1-11,20-21H/b9-8+,17-11-
InChIKeyFBDKPPZSLALVDI-JMAVEDQASA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one (CID 177386044) is (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one is O=C(/C=C(\O)c1ccccc1O)/C=C/c1cccc(F)c1.
What is the InChIKey of (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is FBDKPPZSLALVDI-JMAVEDQASA-N. The full InChI is InChI=1S/C17H13FO3/c18-13-5-3-4-12(10-13)8-9-14(19)11-17(21)15-6-1-2-7-16(15)20/h1-11,20-21H/b9-8+,17-11-.
What are the key properties of (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one?
(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one has a molecular weight of 284.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 177386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).