[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate

C23H16O6 — CID 163997581

IUPAC[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCc2ccccc2OC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C23H16O6/c24-13-16-5-9-18(10-6-16)22(26)28-15-20-3-1-2-4-21(20)29-23(27)19-11-7-17(14-25)8-12-19/h1-14H,15H2
InChIKeyUGBUAZCPCDJAER-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.89
Rot. Bonds7

About [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate

[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate (PubChem CID 163997581) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate.

Molecular Properties

Compound Name[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
PubChem CID163997581
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCc2ccccc2OC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C23H16O6/c24-13-16-5-9-18(10-6-16)22(26)28-15-20-3-1-2-4-21(20)29-23(27)19-11-7-17(14-25)8-12-19/h1-14H,15H2
InChIKeyUGBUAZCPCDJAER-UHFFFAOYSA-N
XLogP3.89
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847
(5-formyl-2-methoxyphenyl)methyl benzoate
CID 11558087
[2,3,4,5,6-pentakis[(4-formylbenzoyl)oxymethyl]phenyl]methyl 3-formylbenzoate
CID 138981671
[2-(nitrooxymethyl)phenyl] 4-hydroxybenzoate
CID 141055825
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
chloro 4-formylbenzoate
CID 54418752
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-formylbenzoate
CID 7966436

Frequently Asked Questions

What is the IUPAC name of [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate?
The IUPAC name of [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate (CID 163997581) is [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate.
What is the SMILES notation for [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate?
The canonical SMILES for [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate is O=Cc1ccc(C(=O)OCc2ccccc2OC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate?
The InChIKey is UGBUAZCPCDJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c24-13-16-5-9-18(10-6-16)22(26)28-15-20-3-1-2-4-21(20)29-23(27)19-11-7-17(14-25)8-12-19/h1-14H,15H2.
What are the key properties of [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate?
[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate has a molecular weight of 388.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate is sourced from PubChem (CID 163997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).