(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one

C14H13ClO — CID 19558961

IUPAC(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(Cl)=C/c1ccccc1)C1CC1
InChIInChI=1S/C14H13ClO/c15-13(8-9-14(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2/b9-8+,13-10-
InChIKeyWCFMLMUVMXBNDI-WOKGKLDWSA-N
MW232.71 g/mol
LogP3.80
Rot. Bonds4

About (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one

(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one (PubChem CID 19558961) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
PubChem CID19558961
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(Cl)=C/c1ccccc1)C1CC1
InChIInChI=1S/C14H13ClO/c15-13(8-9-14(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2/b9-8+,13-10-
InChIKeyWCFMLMUVMXBNDI-WOKGKLDWSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 21176370
(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
CID 19560944
(2E,4Z)-4-chloro-1-(5-methylthiophen-2-yl)-5-phenylpenta-2,4-dien-1-one
CID 19555226
[(1E,3Z)-3-chloro-4-phenylbuta-1,3-dienyl] acetate
CID 125475083
(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
CID 15445735
1-(azepan-4-yl)-3-phenylprop-2-en-1-one
CID 4736933
(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 18329115
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
1-cyclopropyl-4-[2-(trifluoromethyl)phenyl]but-2-ene-1,4-dione
CID 150576396
(2E,4Z)-1-(4-bromo-5-propylthiophen-2-yl)-4-chloro-5-phenylpenta-2,4-dien-1-one
CID 19544992
2-(cyclopentanecarbonyl)-3-phenylprop-2-enoic acid
CID 144576861
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one (CID 19558961) is (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one is O=C(/C=C/C(Cl)=C/c1ccccc1)C1CC1.
What is the InChIKey of (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
The InChIKey is WCFMLMUVMXBNDI-WOKGKLDWSA-N. The full InChI is InChI=1S/C14H13ClO/c15-13(8-9-14(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2/b9-8+,13-10-.
What are the key properties of (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one?
(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one has a molecular weight of 232.71 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 19558961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).