5-oxo-2,3,4-triphenylpent-4-enal

C23H18O2 — CID 173332172

IUPAC5-oxo-2,3,4-triphenylpent-4-enal
SMILESO=C=C(c1ccccc1)C(c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C23H18O2/c24-16-21(18-10-4-1-5-11-18)23(20-14-8-3-9-15-20)22(17-25)19-12-6-2-7-13-19/h1-16,21,23H
InChIKeyKEHSJXGIVUPMHB-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.67
Rot. Bonds6

About 5-oxo-2,3,4-triphenylpent-4-enal

5-oxo-2,3,4-triphenylpent-4-enal (PubChem CID 173332172) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-oxo-2,3,4-triphenylpent-4-enal.

Molecular Properties

Compound Name5-oxo-2,3,4-triphenylpent-4-enal
PubChem CID173332172
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name5-oxo-2,3,4-triphenylpent-4-enal
SMILESO=C=C(c1ccccc1)C(c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C23H18O2/c24-16-21(18-10-4-1-5-11-18)23(20-14-8-3-9-15-20)22(17-25)19-12-6-2-7-13-19/h1-16,21,23H
InChIKeyKEHSJXGIVUPMHB-UHFFFAOYSA-N
XLogP4.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-2,3-diphenylbut-3-enenitrile
CID 123689910
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
2-benzyl-3-phenylbutanedial
CID 175505778
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
(E,2S,3R)-2,3-diphenylhex-4-enal
CID 101207780
(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid
CID 141150273
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(2R,3S)-3-amino-2-phenylpent-4-enal
CID 170084967
4-hydroxy-2-(hydroxymethyl)-3-phenylbutanal
CID 10899506
2-phenylbuta-1,3-diene-1,4-dione
CID 86181605

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3,4-triphenylpent-4-enal?
The IUPAC name of 5-oxo-2,3,4-triphenylpent-4-enal (CID 173332172) is 5-oxo-2,3,4-triphenylpent-4-enal.
What is the SMILES notation for 5-oxo-2,3,4-triphenylpent-4-enal?
The canonical SMILES for 5-oxo-2,3,4-triphenylpent-4-enal is O=C=C(c1ccccc1)C(c1ccccc1)C(C=O)c1ccccc1.
What is the InChIKey of 5-oxo-2,3,4-triphenylpent-4-enal?
The InChIKey is KEHSJXGIVUPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-16-21(18-10-4-1-5-11-18)23(20-14-8-3-9-15-20)22(17-25)19-12-6-2-7-13-19/h1-16,21,23H.
What are the key properties of 5-oxo-2,3,4-triphenylpent-4-enal?
5-oxo-2,3,4-triphenylpent-4-enal has a molecular weight of 326.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3,4-triphenylpent-4-enal is sourced from PubChem (CID 173332172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).