3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid

C19H16O3 — CID 91519477

IUPAC3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
SMILESO=C(O)C(C=Cc1ccccc1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C19H16O3/c20-18(14-12-16-9-5-2-6-10-16)17(19(21)22)13-11-15-7-3-1-4-8-15/h1-14,17H,(H,21,22)
InChIKeyYEMMWCQZMIJAHO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.68
Rot. Bonds6

About 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid

3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid (PubChem CID 91519477) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid.

Molecular Properties

Compound Name3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
PubChem CID91519477
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
SMILESO=C(O)C(C=Cc1ccccc1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C19H16O3/c20-18(14-12-16-9-5-2-6-10-16)17(19(21)22)13-11-15-7-3-1-4-8-15/h1-14,17H,(H,21,22)
InChIKeyYEMMWCQZMIJAHO-UHFFFAOYSA-N
XLogP3.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid 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

(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 175303406
2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 164898898
(E)-2-nitro-3-oxo-5-phenylpent-4-enoic acid
CID 88621285
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
CID 131855579
CID 131855579
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid?
The IUPAC name of 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid (CID 91519477) is 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid.
What is the SMILES notation for 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid?
The canonical SMILES for 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid is O=C(O)C(C=Cc1ccccc1)C(=O)C=Cc1ccccc1.
What is the InChIKey of 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid?
The InChIKey is YEMMWCQZMIJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-18(14-12-16-9-5-2-6-10-16)17(19(21)22)13-11-15-7-3-1-4-8-15/h1-14,17H,(H,21,22).
What are the key properties of 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid?
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid has a molecular weight of 292.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid is sourced from PubChem (CID 91519477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).