(2,4-diformylphenyl) 4-formylbenzoate

C16H10O5 — CID 130308399

IUPAC(2,4-diformylphenyl) 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)Oc2ccc(C=O)cc2C=O)cc1
InChIInChI=1S/C16H10O5/c17-8-11-1-4-13(5-2-11)16(20)21-15-6-3-12(9-18)7-14(15)10-19/h1-10H
InChIKeyQWLJVKJCDBTKPZ-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.34
Rot. Bonds5

About (2,4-diformylphenyl) 4-formylbenzoate

(2,4-diformylphenyl) 4-formylbenzoate (PubChem CID 130308399) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2,4-diformylphenyl) 4-formylbenzoate.

Molecular Properties

Compound Name(2,4-diformylphenyl) 4-formylbenzoate
PubChem CID130308399
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name(2,4-diformylphenyl) 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)Oc2ccc(C=O)cc2C=O)cc1
InChIInChI=1S/C16H10O5/c17-8-11-1-4-13(5-2-11)16(20)21-15-6-3-12(9-18)7-14(15)10-19/h1-10H
InChIKeyQWLJVKJCDBTKPZ-UHFFFAOYSA-N
XLogP2.34
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-formylphenyl) 4-chlorobenzoate
CID 806646
(4-chloro-2-formylphenyl) 4-methylbenzoate
CID 4766937
(2-bromo-4-formylphenyl) 4-chlorobenzoate
CID 4766641
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
chloro 4-formylbenzoate
CID 54418752
ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
CID 168861948
(4-bromo-2-formylphenyl) 3-bromobenzoate
CID 4766842
(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
CID 804637
[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
CID 163997581
ethane;methyl 4-formylbenzoate
CID 91069506
(4-formyl-2-methoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175007012
(4-formyl-2,5-dimethoxyphenyl) benzoate
CID 71512769

Frequently Asked Questions

What is the IUPAC name of (2,4-diformylphenyl) 4-formylbenzoate?
The IUPAC name of (2,4-diformylphenyl) 4-formylbenzoate (CID 130308399) is (2,4-diformylphenyl) 4-formylbenzoate.
What is the SMILES notation for (2,4-diformylphenyl) 4-formylbenzoate?
The canonical SMILES for (2,4-diformylphenyl) 4-formylbenzoate is O=Cc1ccc(C(=O)Oc2ccc(C=O)cc2C=O)cc1.
What is the InChIKey of (2,4-diformylphenyl) 4-formylbenzoate?
The InChIKey is QWLJVKJCDBTKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-8-11-1-4-13(5-2-11)16(20)21-15-6-3-12(9-18)7-14(15)10-19/h1-10H.
What are the key properties of (2,4-diformylphenyl) 4-formylbenzoate?
(2,4-diformylphenyl) 4-formylbenzoate has a molecular weight of 282.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diformylphenyl) 4-formylbenzoate is sourced from PubChem (CID 130308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).