(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one

C17H13ClO — CID 6024866

IUPAC(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-13H/b12-8+,13-9+
InChIKeyPZAALISHZLYIHV-QHKWOANTSA-N
MW268.74 g/mol
LogP4.64
Rot. Bonds4

About (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one

(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one (PubChem CID 6024866) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one
PubChem CID6024866
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-13H/b12-8+,13-9+
InChIKeyPZAALISHZLYIHV-QHKWOANTSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one (CID 6024866) is (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one is O=C(/C=C/c1ccccc1)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one?
The InChIKey is PZAALISHZLYIHV-QHKWOANTSA-N. The full InChI is InChI=1S/C17H13ClO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-13H/b12-8+,13-9+.
What are the key properties of (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one?
(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one has a molecular weight of 268.74 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 6024866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).