5-oxo-4,5-diphenylpent-2-enoic acid

C17H14O3 — CID 91191073

IUPAC5-oxo-4,5-diphenylpent-2-enoic acid
SMILESO=C(O)C=CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16(19)12-11-15(13-7-3-1-4-8-13)17(20)14-9-5-2-6-10-14/h1-12,15H,(H,18,19)
InChIKeyGUKMQDGNTHJBJU-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.29
Rot. Bonds5

About 5-oxo-4,5-diphenylpent-2-enoic acid

5-oxo-4,5-diphenylpent-2-enoic acid (PubChem CID 91191073) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-oxo-4,5-diphenylpent-2-enoic acid.

Molecular Properties

Compound Name5-oxo-4,5-diphenylpent-2-enoic acid
PubChem CID91191073
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name5-oxo-4,5-diphenylpent-2-enoic acid
SMILESO=C(O)C=CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16(19)12-11-15(13-7-3-1-4-8-13)17(20)14-9-5-2-6-10-14/h1-12,15H,(H,18,19)
InChIKeyGUKMQDGNTHJBJU-UHFFFAOYSA-N
XLogP3.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-carboxyethenyl]-triphenylphosphanium
CID 6332531
2-hydroxy-1,2-diphenylethanone
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2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
3,4,5,6-tetraoxo-2,6-diphenylhexanal
CID 90107760
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
3-oxo-2-phenylpropanoate
CID 18187381
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4,5-diphenylpent-2-enoic acid?
The IUPAC name of 5-oxo-4,5-diphenylpent-2-enoic acid (CID 91191073) is 5-oxo-4,5-diphenylpent-2-enoic acid.
What is the SMILES notation for 5-oxo-4,5-diphenylpent-2-enoic acid?
The canonical SMILES for 5-oxo-4,5-diphenylpent-2-enoic acid is O=C(O)C=CC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-oxo-4,5-diphenylpent-2-enoic acid?
The InChIKey is GUKMQDGNTHJBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16(19)12-11-15(13-7-3-1-4-8-13)17(20)14-9-5-2-6-10-14/h1-12,15H,(H,18,19).
What are the key properties of 5-oxo-4,5-diphenylpent-2-enoic acid?
5-oxo-4,5-diphenylpent-2-enoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4,5-diphenylpent-2-enoic acid is sourced from PubChem (CID 91191073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).