[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate

C22H16O4 — CID 2505227

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O4/c23-14-16-6-8-20(9-7-16)22(25)26-15-21(24)19-12-10-18(11-13-19)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyFINDFQRZGAIQMU-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.21
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate (PubChem CID 2505227) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
PubChem CID2505227
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O4/c23-14-16-6-8-20(9-7-16)22(25)26-15-21(24)19-12-10-18(11-13-19)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyFINDFQRZGAIQMU-UHFFFAOYSA-N
XLogP4.21
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
phenacyl 4-aminobenzoate
CID 781350
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-formylbenzoate
CID 4674121
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
[2-[2-[[2-(4-formylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-formylbenzoate
CID 18229054
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate (CID 2505227) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate is O=Cc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate?
The InChIKey is FINDFQRZGAIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-14-16-6-8-20(9-7-16)22(25)26-15-21(24)19-12-10-18(11-13-19)17-4-2-1-3-5-17/h1-14H,15H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate has a molecular weight of 344.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate is sourced from PubChem (CID 2505227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).