4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde

C16H10O4 — CID 641325

IUPAC4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H10O4/c17-9-11-1-5-13(6-2-11)15(19)16(20)14-7-3-12(10-18)4-8-14/h1-10H
InChIKeySDEPZESIDIXAND-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.38
Rot. Bonds5

About 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde

4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde (PubChem CID 641325) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
PubChem CID641325
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H10O4/c17-9-11-1-5-13(6-2-11)15(19)16(20)14-7-3-12(10-18)4-8-14/h1-10H
InChIKeySDEPZESIDIXAND-UHFFFAOYSA-N
XLogP2.38
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

azanium 4-formylbenzoic acid
CID 21271797
4-formylbenzoate
CID 4289537
(4-formylphenyl) 2-(4-formylphenyl)-2-oxoacetate
CID 91308324
4-formylbenzamide;methanamine
CID 144619239
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
chloro 4-formylbenzoate
CID 54418752
4-formylbenzoic acid;methoxymethane
CID 145138975
4-(4-formylphenyl)benzoyl chloride
CID 89223332
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
ethane;methyl 4-formylbenzoate
CID 91069506
benzene;terephthalaldehyde
CID 163498156

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde?
The IUPAC name of 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde (CID 641325) is 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde is O=Cc1ccc(C(=O)C(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde?
The InChIKey is SDEPZESIDIXAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-9-11-1-5-13(6-2-11)15(19)16(20)14-7-3-12(10-18)4-8-14/h1-10H.
What are the key properties of 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde?
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde has a molecular weight of 266.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde is sourced from PubChem (CID 641325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).