(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol

C11H11FO — CID 6456465

IUPAC(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h1-8,13H,9H2/b3-1+,4-2+
InChIKeyZOHIQKAEFVTMSL-ZPUQHVIOSA-N
MW178.21 g/mol
LogP2.39
Rot. Bonds3

About (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol

(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol (PubChem CID 6456465) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol
PubChem CID6456465
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h1-8,13H,9H2/b3-1+,4-2+
InChIKeyZOHIQKAEFVTMSL-ZPUQHVIOSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol (CID 6456465) is (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol is OC/C=C/C=C/c1ccc(F)cc1.
What is the InChIKey of (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol?
The InChIKey is ZOHIQKAEFVTMSL-ZPUQHVIOSA-N. The full InChI is InChI=1S/C11H11FO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h1-8,13H,9H2/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol?
(2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol has a molecular weight of 178.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-fluorophenyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 6456465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).